 Entering Gaussian System, Link 0=g16
 Input=06_betapinene_STD_M11-augccpVDZr.in
 Output=06_betapinene_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/06_betapinene_STD/Gau-224703.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/06_betapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    224705.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=06_betapinene_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 21:38:29 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "06_betapinene_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.736209000000      0.801878000000      0.378732000000
  C                                                 0.496901000000      1.638940000000      0.787068000000
  C                                                 1.383096000000     -0.522443000000     -0.274501000000
  C                                                 2.201969000000     -1.569072000000     -0.279208000000
  C                                                 0.025556000000     -0.542713000000     -0.909694000000
  C                                                -1.066183000000     -0.286051000000      0.196211000000
  C                                                -0.738063000000      1.227450000000     -0.016143000000
  C                                                -0.309046000000      0.871194000000     -1.461941000000
  H                                                 2.398518000000      0.639455000000      1.229830000000
  H                                                 0.705457000000      2.697786000000      0.618767000000
  H                                                 0.292720000000      1.530390000000      1.853834000000
  H                                                 3.163814000000     -1.541544000000      0.219131000000
  H                                                 1.937671000000     -2.488500000000     -0.787055000000
  H                                                -0.114313000000     -1.410379000000     -1.555412000000
  C                                                -0.857617000000     -0.904210000000      1.570339000000
  C                                                -2.466835000000     -0.645129000000     -0.296336000000
  H                                                -1.560459000000      1.932149000000      0.122182000000
  H                                                -1.140268000000      0.855938000000     -2.161136000000
  H                                                 0.507286000000      1.443130000000     -1.902380000000
  H                                                 0.139287000000     -0.735039000000      1.971262000000
  H                                                -1.004924000000     -1.985930000000      1.522168000000
  H                                                -1.583414000000     -0.502658000000      2.282629000000
  H                                                -2.691969000000     -0.231611000000     -1.278562000000
  H                                                -3.219726000000     -0.269790000000      0.401530000000
  H                                                -2.582631000000     -1.729976000000     -0.357089000000
  H                                                 2.317034000000      1.377511000000     -0.346860000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul  9 21:38:30 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.550257   0.000000
     3  C    1.518298   2.565901   0.000000
     4  C    2.504241   3.786231   1.328912   0.000000
     5  C    2.528695   2.803708   1.498932   2.487509   0.000000
     6  C    3.011695   2.549105   2.505278   3.543019   1.575054
     7  C    2.541468   1.529578   2.761918   4.066144   2.124859
     8  C    2.752444   2.509388   2.493107   3.695802   1.554371
     9  H    1.090597   2.193435   2.155018   2.682055   3.406763
    10  H    2.171298   1.092234   3.409838   4.609987   3.646819
    11  H    2.188679   1.091541   3.151643   4.219214   3.464999
    12  H    2.748664   4.189326   2.110260   1.083626   3.481461
    13  H    3.496603   4.646444   2.106097   1.083102   2.730808
    14  H    3.472668   3.893474   2.161341   2.649348   1.090578
    15  C    3.325447   2.985941   2.927452   3.636472   2.657299
    16  C    4.496123   3.895442   3.851947   4.759380   2.568795
    17  H    3.494474   2.181920   3.853167   5.155146   3.115310
    18  H    3.837704   3.461982   3.438996   4.537937   2.209407
    19  H    2.669256   2.696587   2.698242   3.818376   2.271797
    20  H    2.729180   2.676935   2.575987   3.164630   2.889608
    21  H    4.073467   3.991933   3.327530   3.701741   3.009770
    22  H    4.043085   3.339290   3.916566   4.693546   3.575097
    23  H    4.839781   4.234936   4.207003   5.170893   2.760034
    24  H    5.070531   4.195856   4.659058   5.616611   3.510791
    25  H    5.060049   4.705551   4.146317   4.787938   2.918494
    26  H    1.093250   2.160329   2.118325   2.949605   3.042189
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.563151   0.000000
     8  C    2.159153   1.549615   0.000000
     9  H    3.732169   3.425832   3.824949   0.000000
    10  H    3.495790   2.156096   2.948729   2.734334   0.000000
    11  H    2.809589   2.156641   3.433806   2.370133   1.748873
    12  H    4.412444   4.790337   4.550611   2.522686   4.916823
    13  H    3.852367   4.643505   4.097652   3.750241   5.512917
    14  H    2.288745   3.117139   2.291775   4.274776   4.719756
    15  C    1.521134   2.659923   3.556362   3.619567   4.040181
    16  C    1.527536   2.563925   2.883388   5.258422   4.698503
    17  H    2.273807   1.091819   2.280593   4.309459   2.442780
    18  H    2.620441   2.213772   1.086295   4.905968   3.811426
    19  H    3.141649   2.270529   1.089723   3.746117   2.823051
    20  H    2.192157   2.927607   3.816788   2.746467   3.732838
    21  H    2.156734   3.572594   4.189548   4.308309   5.067419
    22  H    2.160460   2.998707   4.187277   4.274177   4.272026
    23  H    2.195700   2.745962   2.632134   5.741415   4.870701
    24  H    2.163370   2.928281   3.639564   5.751302   4.925521
    25  H    2.165797   3.502148   3.627116   5.739718   5.600794
    26  H    3.809005   3.076607   2.897595   1.742790   2.296245
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.511343   0.000000
    13  H    5.082483   1.847312   0.000000
    14  H    4.520703   3.729923   2.441998   0.000000
    15  C    2.707568   4.289973   3.985087   3.252542   0.000000
    16  C    4.119619   5.724812   4.799843   2.775831   2.478141
    17  H    2.567937   5.864699   5.710146   4.009757   3.261300
    18  H    4.316054   5.471628   4.748376   2.560406   4.135447
    19  H    3.763349   4.523962   4.329857   2.940967   4.408258
    20  H    2.273653   3.587224   3.730566   3.599698   1.087739
    21  H    3.762763   4.390189   3.774116   3.255141   1.092766
    22  H    2.799469   5.279534   5.075881   4.208655   1.093335
    23  H    4.671715   6.184594   5.173847   2.847885   3.454486
    24  H    4.205605   6.511544   5.738828   3.843716   2.710749
    25  H    4.877070   5.778336   4.603625   2.762375   2.715242
    26  H    2.994040   3.091644   3.909441   3.891578   4.354344
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.763881   0.000000
    18  H    2.736871   2.558971   0.000000
    19  H    3.973109   2.934887   1.768102   0.000000
    20  H    3.455714   3.663622   4.609250   4.459254   0.000000
    21  H    2.691076   4.197609   4.654166   5.076688   1.753748
    22  H    2.729797   3.255202   4.667891   5.066697   1.765970
    23  H    1.089243   2.815006   2.090329   3.664579   4.339448
    24  H    1.093042   2.771234   3.486928   4.704542   3.736774
    25  H    1.092700   3.832192   3.467268   4.690854   3.717520
    26  H    5.194134   3.944943   3.939108   2.387286   3.818264
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764383   0.000000
    23  H    3.710505   3.739578   0.000000
    24  H    3.017667   2.504052   1.761447   0.000000
    25  H    2.467038   3.077800   1.762432   1.764521   0.000000
    26  H    5.083444   5.065841   5.342982   5.824895   5.802008
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.48D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9111302           1.2981916           1.1547870
 Leave Link  202 at Fri Jul  9 21:38:30 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     17     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     15     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       571.0056832907 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul  9 21:38:31 2021, MaxMem= 17179869184 cpu:              15.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.52D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul  9 21:38:32 2021, MaxMem= 17179869184 cpu:               5.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 21:38:32 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "06_betapinene_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 21:38:33 2021, MaxMem= 17179869184 cpu:               5.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179550098 LenY= 17179394421
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.416608654788    
 DIIS: error= 2.84D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.416608654788     IErMin= 1 ErrMin= 2.84D-03
 ErrMax= 2.84D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-02 BMatP= 1.16D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.84D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.426 Goal=   None    Shift=    0.000
 GapD=    0.426 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=3.89D-02 MaxDP=4.17D+00              OVMax= 1.71D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.06D-02    CP:  1.70D+00
 E= -390.428373437075     Delta-E=       -0.011764782287 Rises=F Damp=F
 DIIS: error= 4.77D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.428373437075     IErMin= 2 ErrMin= 4.77D-04
 ErrMax= 4.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-04 BMatP= 1.16D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.77D-03
 Coeff-Com: -0.628D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.625D-01 0.106D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.98D-03 MaxDP=8.56D-01 DE=-1.18D-02 OVMax= 4.48D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.74D-03    CP:  1.83D+00  1.17D+00
 E= -390.428661571844     Delta-E=       -0.000288134769 Rises=F Damp=F
 DIIS: error= 2.75D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.428661571844     IErMin= 3 ErrMin= 2.75D-04
 ErrMax= 2.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.06D-05 BMatP= 2.16D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.75D-03
 Coeff-Com: -0.332D-01 0.374D+00 0.659D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.331D-01 0.373D+00 0.660D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=5.49D-04 MaxDP=5.73D-02 DE=-2.88D-04 OVMax= 2.82D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.30D-04    CP:  1.84D+00  1.18D+00  1.05D+00
 E= -390.428725821671     Delta-E=       -0.000064249827 Rises=F Damp=F
 DIIS: error= 1.10D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.428725821671     IErMin= 4 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-05 BMatP= 7.06D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com: -0.179D-02-0.493D-01 0.244D+00 0.807D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.179D-02-0.492D-01 0.244D+00 0.807D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.49D-04 MaxDP=1.05D-02 DE=-6.42D-05 OVMax= 1.10D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.11D-04    CP:  1.84D+00  1.18D+00  1.10D+00  9.48D-01
 E= -390.428737130524     Delta-E=       -0.000011308853 Rises=F Damp=F
 DIIS: error= 1.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.428737130524     IErMin= 5 ErrMin= 1.97D-05
 ErrMax= 1.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.26D-07 BMatP= 1.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-02-0.405D-01 0.293D-01 0.242D+00 0.767D+00
 Coeff:      0.168D-02-0.405D-01 0.293D-01 0.242D+00 0.767D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=3.59D-05 MaxDP=2.04D-03 DE=-1.13D-05 OVMax= 3.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.00D-05    CP:  1.84D+00  1.18D+00  1.11D+00  9.65D-01  1.14D+00
 E= -390.428737715821     Delta-E=       -0.000000585297 Rises=F Damp=F
 DIIS: error= 5.34D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.428737715821     IErMin= 6 ErrMin= 5.34D-06
 ErrMax= 5.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.34D-08 BMatP= 5.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.549D-03-0.511D-02-0.150D-01-0.118D-01 0.212D+00 0.819D+00
 Coeff:      0.549D-03-0.511D-02-0.150D-01-0.118D-01 0.212D+00 0.819D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.67D-05 MaxDP=2.30D-03 DE=-5.85D-07 OVMax= 6.94D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.41D-06    CP:  1.84D+00  1.18D+00  1.11D+00  9.75D-01  1.20D+00
                    CP:  1.01D+00
 E= -390.428737773974     Delta-E=       -0.000000058154 Rises=F Damp=F
 DIIS: error= 1.95D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.428737773974     IErMin= 7 ErrMin= 1.95D-06
 ErrMax= 1.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.43D-09 BMatP= 4.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-04 0.174D-02-0.651D-02-0.218D-01-0.718D-02 0.206D+00
 Coeff-Com:  0.827D+00
 Coeff:      0.104D-04 0.174D-02-0.651D-02-0.218D-01-0.718D-02 0.206D+00
 Coeff:      0.827D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=6.53D-06 MaxDP=8.19D-04 DE=-5.82D-08 OVMax= 2.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.97D-06    CP:  1.84D+00  1.18D+00  1.11D+00  9.74D-01  1.21D+00
                    CP:  1.02D+00  1.21D+00
 E= -390.428737778704     Delta-E=       -0.000000004730 Rises=F Damp=F
 DIIS: error= 5.18D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.428737778704     IErMin= 8 ErrMin= 5.18D-07
 ErrMax= 5.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-10 BMatP= 3.43D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.553D-04 0.110D-02-0.694D-03-0.574D-02-0.270D-01-0.224D-01
 Coeff-Com:  0.255D+00 0.800D+00
 Coeff:     -0.553D-04 0.110D-02-0.694D-03-0.574D-02-0.270D-01-0.224D-01
 Coeff:      0.255D+00 0.800D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.66D-06 MaxDP=1.86D-04 DE=-4.73D-09 OVMax= 8.76D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.60D-07    CP:  1.84D+00  1.18D+00  1.11D+00  9.75D-01  1.22D+00
                    CP:  1.03D+00  1.32D+00  1.17D+00
 E= -390.428737779311     Delta-E=       -0.000000000607 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.428737779311     IErMin= 9 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-11 BMatP= 4.03D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.439D-05-0.471D-04 0.358D-03 0.145D-02-0.134D-02-0.149D-01
 Coeff-Com: -0.479D-01 0.614D-01 0.100D+01
 Coeff:     -0.439D-05-0.471D-04 0.358D-03 0.145D-02-0.134D-02-0.149D-01
 Coeff:     -0.479D-01 0.614D-01 0.100D+01
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=4.42D-07 MaxDP=4.71D-05 DE=-6.07D-10 OVMax= 2.78D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.88D-07    CP:  1.84D+00  1.18D+00  1.11D+00  9.75D-01  1.22D+00
                    CP:  1.03D+00  1.35D+00  1.28D+00  1.22D+00
 E= -390.428737779388     Delta-E=       -0.000000000078 Rises=F Damp=F
 DIIS: error= 3.15D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.428737779388     IErMin=10 ErrMin= 3.15D-08
 ErrMax= 3.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-12 BMatP= 1.78D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.322D-05-0.985D-04 0.137D-03 0.838D-03 0.166D-02-0.192D-02
 Coeff-Com: -0.329D-01-0.436D-01 0.246D+00 0.830D+00
 Coeff:      0.322D-05-0.985D-04 0.137D-03 0.838D-03 0.166D-02-0.192D-02
 Coeff:     -0.329D-01-0.436D-01 0.246D+00 0.830D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=1.20D-07 MaxDP=1.30D-05 DE=-7.75D-11 OVMax= 7.98D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.37D-08    CP:  1.84D+00  1.18D+00  1.11D+00  9.75D-01  1.22D+00
                    CP:  1.03D+00  1.36D+00  1.30D+00  1.31D+00  1.24D+00
 E= -390.428737779368     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 1.20D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.428737779388     IErMin=11 ErrMin= 1.20D-08
 ErrMax= 1.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-13 BMatP= 1.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-05-0.185D-04-0.223D-05 0.716D-04 0.442D-03 0.995D-03
 Coeff-Com: -0.353D-02-0.133D-01-0.298D-01 0.185D+00 0.860D+00
 Coeff:      0.107D-05-0.185D-04-0.223D-05 0.716D-04 0.442D-03 0.995D-03
 Coeff:     -0.353D-02-0.133D-01-0.298D-01 0.185D+00 0.860D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=3.52D-08 MaxDP=3.38D-06 DE= 2.07D-11 OVMax= 3.45D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.57D-08    CP:  1.84D+00  1.18D+00  1.11D+00  9.75D-01  1.22D+00
                    CP:  1.03D+00  1.36D+00  1.31D+00  1.33D+00  1.33D+00
                    CP:  1.17D+00
 E= -390.428737779310     Delta-E=        0.000000000057 Rises=F Damp=F
 DIIS: error= 5.17D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -390.428737779388     IErMin=12 ErrMin= 5.17D-09
 ErrMax= 5.17D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-14 BMatP= 1.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-06 0.102D-04-0.171D-04-0.889D-04-0.194D-03 0.424D-03
 Coeff-Com:  0.357D-02 0.425D-02-0.371D-01-0.909D-01 0.131D+00 0.989D+00
 Coeff:     -0.286D-06 0.102D-04-0.171D-04-0.889D-04-0.194D-03 0.424D-03
 Coeff:      0.357D-02 0.425D-02-0.371D-01-0.909D-01 0.131D+00 0.989D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=2.21D-08 MaxDP=2.78D-06 DE= 5.74D-11 OVMax= 1.47D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.14D-09    CP:  1.84D+00  1.18D+00  1.11D+00  9.75D-01  1.22D+00
                    CP:  1.03D+00  1.36D+00  1.31D+00  1.33D+00  1.37D+00
                    CP:  1.30D+00  1.38D+00
 E= -390.428737779338     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 9.89D-10 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -390.428737779388     IErMin=13 ErrMin= 9.89D-10
 ErrMax= 9.89D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-15 BMatP= 2.39D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-06 0.320D-05-0.327D-05-0.203D-04-0.764D-04 0.357D-04
 Coeff-Com:  0.888D-03 0.176D-02-0.501D-02-0.311D-01-0.306D-01 0.184D+00
 Coeff-Com:  0.881D+00
 Coeff:     -0.130D-06 0.320D-05-0.327D-05-0.203D-04-0.764D-04 0.357D-04
 Coeff:      0.888D-03 0.176D-02-0.501D-02-0.311D-01-0.306D-01 0.184D+00
 Coeff:      0.881D+00
 Gap=     0.323 Goal=   None    Shift=    0.000
 RMSDP=4.44D-09 MaxDP=6.72D-07 DE=-2.77D-11 OVMax= 3.12D-08

 SCF Done:  E(RM11) =  -390.428737779     A.U. after   13 cycles
            NFock= 13  Conv=0.44D-08     -V/T= 2.0066
 KE= 3.878661675146D+02 PE=-2.045636714402D+03 EE= 6.963361258172D+02
 Leave Link  502 at Fri Jul  9 21:42:34 2021, MaxMem= 17179869184 cpu:            2887.5 elap:             241.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.99587960D+02

 Leave Link  801 at Fri Jul  9 21:42:34 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 1.47D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.20D-01 4.24D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 1.80D-02 2.55D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.15D-03 5.63D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.55D-04 1.44D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.06D-05 3.72D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 3.90D-07 8.22D-05.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 1.18D-08 1.39D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 2.75D-10 2.01D-06.
     10 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 6.07D-12 2.44D-07.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 1.36D-13 3.66D-08.
      1 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 7.60D-15 1.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.130749D+03
      2 -0.781737D+01  0.122549D+03
      3 -0.920289D-02  0.107689D+01  0.107001D+03
 Isotropic polarizability for W=    0.093368      120.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.133753D+02 -0.306236D+02  0.446262D+01
      2   0.191328D+02 -0.881884D+01 -0.842431D+01
      3  -0.325081D+02  0.394424D+02  0.396168D+01
      4  -0.740037D+02  0.584131D+02  0.127494D+02
      5   0.604508D+01  0.188099D+02 -0.210082D+02
      6   0.949543D+01 -0.413632D+01 -0.577814D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.382442D+01 -0.354162D+01  0.271378D+01
      2   0.712246D+01  0.211517D+01 -0.695219D+01
      3   0.107740D+02 -0.962960D+01 -0.600442D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.606057D+01  0.428799D+01  0.400202D+02
      2  -0.158246D+01  0.325394D+01  0.114999D+02
      3  -0.433802D+02 -0.392803D+02 -0.931452D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.429480D+00 -0.557020D+00 -0.379193D+01
      2  -0.557020D+00 -0.276515D+00  0.672895D+00
      3  -0.379193D+01  0.672895D+00  0.641166D+00
 OR G Eigenvalues:    -3.7238    -0.4503     4.1093  Iso=     0.0216
 Eigenvectors:
   (1)   0.754434  -0.006213   0.656347
   (2)   0.132777   0.980727  -0.143337
   (3)  -0.642806   0.195286   0.740718
 w=    0.093368 a.u., Optical Rotation Beta=      0.0216 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =        8.94 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 3.00D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.40D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.15D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 1.69D-02 1.69D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.28D-03 5.00D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 2.04D-05 5.79D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 3.41D-07 6.18D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 6.19D-09 6.18D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 7.95D-11 6.62D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 6.86D-13 6.30D-08.
     15 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 1.10D-14 1.43D-08.
      1 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 6.32D-16 3.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 9.15D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 9.15D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.57D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130749D+03 -0.781737D+01 -0.920289D-02
      2  -0.781737D+01  0.122549D+03  0.107689D+01
      3  -0.920289D-02  0.107689D+01  0.107001D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.382442D+01 -0.354162D+01  0.271378D+01
      2   0.712246D+01  0.211517D+01 -0.695219D+01
      3   0.107740D+02 -0.962960D+01 -0.600442D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.133753D+02 -0.306236D+02  0.446262D+01
      2   0.191328D+02 -0.881884D+01 -0.842431D+01
      3  -0.325081D+02  0.394424D+02  0.396168D+01
      4  -0.740037D+02  0.584131D+02  0.127494D+02
      5   0.604508D+01  0.188099D+02 -0.210082D+02
      6   0.949543D+01 -0.413632D+01 -0.577814D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.176714D+01 -0.213800D+01 -0.175646D+01 -0.114541D+01  0.148679D+01
      2  -0.213800D+01 -0.146939D+01  0.115327D+01  0.148679D+01 -0.377288D+01
      3  -0.175646D+01  0.115327D+01 -0.276237D+01  0.200671D+01  0.127388D+01
                 6             7             8             9            10 
      1   0.200671D+01 -0.322712D+01  0.214799D+01 -0.360271D+01 -0.574776D-01
      2   0.127388D+01  0.214799D+01  0.253440D+01 -0.109405D+01  0.248013D+01
      3  -0.187911D-01 -0.360271D+01 -0.109405D+01 -0.621838D+00  0.182980D+01
                11            12            13            14            15 
      1   0.248013D+01  0.182980D+01  0.211169D+01 -0.337023D+01 -0.185675D+00
      2  -0.345032D+01 -0.310103D-01 -0.337023D+01 -0.719128D+01  0.596735D+00
      3  -0.310103D-01  0.199834D+01 -0.185675D+00  0.596735D+00  0.963454D+00
                16            17            18            19            20 
      1   0.243326D+01  0.209049D+00  0.208140D+01 -0.130047D+02  0.976916D+01
      2   0.209049D+00  0.160281D+01 -0.178118D+00  0.976916D+01 -0.856202D+01
      3   0.208140D+01 -0.178118D+00 -0.588887D+01  0.354016D+01 -0.365268D+00
                21            22            23            24            25 
      1   0.354016D+01  0.960180D+01 -0.846141D+01 -0.208778D+01  0.187895D+00
      2  -0.365268D+00 -0.846141D+01  0.109815D+02 -0.232141D+01  0.381853D+00
      3  -0.209866D+01 -0.208778D+01 -0.232141D+01  0.307322D+01 -0.697479D+00
                26            27            28            29            30 
      1   0.381853D+00 -0.697479D+00  0.723243D+01 -0.697292D+01 -0.595663D+01
      2  -0.179896D+01  0.876528D+00 -0.697292D+01  0.814453D+01  0.228385D+01
      3   0.876528D+00 -0.966612D-01 -0.595663D+01  0.228385D+01  0.303495D+01
                31            32            33            34            35 
      1  -0.995355D+01  0.882936D+01  0.104870D+01 -0.654451D+01  0.127971D+01
      2   0.882936D+01 -0.919176D+01  0.408861D+01  0.127971D+01  0.496265D+01
      3   0.104870D+01  0.408861D+01 -0.298058D+01  0.352794D+01 -0.316454D+01
                36            37            38            39            40 
      1   0.352794D+01  0.117924D+02 -0.591990D+01 -0.420158D+01 -0.221014D+01
      2  -0.316454D+01 -0.591990D+01  0.405052D+01 -0.520578D+00  0.285191D+01
      3  -0.103608D+01 -0.420158D+01 -0.520578D+00  0.268499D+01 -0.819945D+00
                41            42            43            44            45 
      1   0.285191D+01 -0.819945D+00 -0.708258D+01  0.312317D+00  0.314069D+01
      2   0.838055D+00  0.556474D+01  0.312317D+00  0.507119D+01  0.109313D+01
      3   0.556474D+01  0.878257D+00  0.314069D+01  0.109313D+01 -0.120968D+01
                46            47            48            49            50 
      1  -0.421073D+01  0.323935D+01  0.616800D+01  0.427955D+01 -0.483720D+01
      2   0.323935D+01 -0.282571D+01  0.346995D-01 -0.483720D+01 -0.747448D+01
      3   0.616800D+01  0.346995D-01 -0.251118D+01 -0.346255D+00 -0.396839D+00
                51            52            53            54            55 
      1  -0.346255D+00  0.112717D+02 -0.201845D+01 -0.285129D+01  0.186677D+01
      2  -0.396839D+00 -0.201845D+01  0.109592D+01  0.241793D+01 -0.338569D+01
      3   0.195864D+01 -0.285129D+01  0.241793D+01 -0.739434D+00 -0.258449D+01
                56            57            58            59            60 
      1  -0.338569D+01 -0.258449D+01 -0.332887D+01  0.621432D+01  0.666043D-01
      2   0.580518D+01 -0.144869D+00  0.621432D+01  0.399659D+01 -0.231067D+01
      3  -0.144869D+00 -0.137023D+01  0.666043D-01 -0.231067D+01  0.166488D+01
                61            62            63            64            65 
      1  -0.267282D+01 -0.659668D+00 -0.163922D+01  0.105275D+00 -0.930021D+00
      2  -0.659668D+00 -0.302263D+01  0.468494D+00 -0.930021D+00 -0.399203D+01
      3  -0.163922D+01  0.468494D+00  0.484873D+01  0.416501D+01  0.266763D+01
                66            67            68            69            70 
      1   0.416501D+01  0.758045D+00 -0.419530D+01  0.311745D+01  0.372287D+01
      2   0.266763D+01 -0.419530D+01  0.398324D+01 -0.129020D+01  0.174991D+01
      3   0.175455D+01  0.311745D+01 -0.129020D+01 -0.268758D+01  0.151798D+01
                71            72            73            74            75 
      1   0.174991D+01  0.151798D+01  0.462259D+01  0.606500D+00  0.270380D+01
      2  -0.417679D+00 -0.220257D+01  0.606500D+00  0.118762D+01  0.412648D+00
      3  -0.220257D+01 -0.147198D+01  0.270380D+01  0.412648D+00  0.248416D+01
                76            77            78            79            80 
      1  -0.661943D+00  0.764898D+00 -0.549881D+00  0.376080D+01  0.234348D+00
      2   0.764898D+00 -0.712248D-01  0.601309D+00  0.234348D+00  0.603394D+00
      3  -0.549881D+00  0.601309D+00 -0.301318D+00  0.329630D+01  0.809341D+00
                81            82            83            84            85 
      1   0.329630D+01  0.939184D+00  0.151868D+01 -0.103686D+00  0.147676D+01
      2   0.809341D+00  0.151868D+01  0.182992D+01  0.187564D+00  0.214020D+01
      3   0.436217D+01 -0.103686D+00  0.187564D+00 -0.886274D-01  0.266130D+00
                86            87            88            89            90 
      1   0.214020D+01  0.266130D+00 -0.679383D+00 -0.237849D+00 -0.234400D-01
      2   0.124092D+02  0.796510D+00 -0.237849D+00 -0.133489D+01  0.126022D+01
      3   0.796510D+00  0.969313D+00 -0.234400D-01  0.126022D+01  0.488776D+00
                91            92            93            94            95 
      1  -0.801691D+00 -0.126166D+00  0.992417D+00 -0.403186D+00  0.230030D-01
      2  -0.126166D+00  0.782848D-01 -0.280104D+00  0.230030D-01  0.844522D+00
      3   0.992417D+00 -0.280104D+00 -0.124785D+01  0.322912D-01  0.101918D+01
                96            97            98            99           100 
      1   0.322912D-01  0.124840D+01 -0.555231D-01 -0.990677D+00  0.929436D+01
      2   0.101918D+01 -0.555231D-01  0.149524D+01  0.182303D+01 -0.236149D+01
      3  -0.107366D+00 -0.990677D+00  0.182303D+01  0.885467D+01  0.292414D+01
               101           102           103           104           105 
      1  -0.236149D+01  0.292414D+01 -0.751080D+00  0.161663D+01  0.476805D+00
      2   0.170413D+01 -0.861720D+00  0.161663D+01 -0.168118D+01 -0.250160D+00
      3  -0.861720D+00  0.150793D+01  0.476805D+00 -0.250160D+00  0.353347D-01
               106           107           108           109           110 
      1   0.506865D+01 -0.719777D+00  0.142700D+01  0.105920D+01 -0.120227D+01
      2  -0.719777D+00 -0.120900D+00 -0.129386D-01 -0.120227D+01 -0.829441D+00
      3   0.142700D+01 -0.129386D-01  0.110183D+01  0.191360D+00 -0.107882D+01
               111           112           113           114           115 
      1   0.191360D+00 -0.146302D+01  0.135258D+01  0.454756D+00  0.106450D+00
      2  -0.107882D+01  0.135258D+01 -0.824333D+01 -0.309600D+01 -0.155967D+00
      3  -0.609218D+00  0.454756D+00 -0.309600D+01 -0.191460D+01 -0.257478D+00
               116           117           118           119           120 
      1  -0.155967D+00 -0.257478D+00 -0.463783D+00 -0.108513D+01 -0.539201D+00
      2  -0.407380D+01 -0.158628D+01 -0.108513D+01 -0.831017D+00 -0.384620D+00
      3  -0.158628D+01 -0.126222D+01 -0.539201D+00 -0.384620D+00 -0.696034D+00
               121           122           123           124           125 
      1  -0.164071D+01 -0.565668D+00 -0.474970D+00  0.420075D-01 -0.468401D+00
      2  -0.565668D+00 -0.547067D+01 -0.340427D+01 -0.468401D+00 -0.262112D+01
      3  -0.474970D+00 -0.340427D+01 -0.293707D+01 -0.587451D+00 -0.275962D+01
               126           127           128           129           130 
      1  -0.587451D+00 -0.251074D+01 -0.160821D+01 -0.478251D+01 -0.195369D+01
      2  -0.275962D+01 -0.160821D+01  0.133824D+01  0.262898D+00  0.208798D+01
      3  -0.371016D+01 -0.478251D+01  0.262898D+00  0.232715D+01  0.605329D+00
               131           132           133           134           135 
      1   0.208798D+01  0.605329D+00 -0.476958D+01  0.542190D+00  0.227829D+01
      2   0.694533D+01 -0.783888D+00  0.542190D+00  0.169274D+00 -0.271806D+01
      3  -0.783888D+00 -0.304145D+01  0.227829D+01 -0.271806D+01 -0.110100D+00
               136           137           138           139           140 
      1  -0.181991D+00 -0.245197D+01 -0.435618D+01 -0.362281D+01  0.324901D+01
      2  -0.245197D+01  0.132310D+01  0.542740D-01  0.324901D+01  0.682531D+01
      3  -0.435618D+01  0.542740D-01  0.222505D+01  0.244331D+00  0.956625D+00
               141           142           143           144           145 
      1   0.244331D+00 -0.585069D+01  0.894933D+00  0.333705D+01 -0.628784D+01
      2   0.956625D+00  0.894933D+00  0.350875D+00 -0.262839D+01  0.435656D+01
      3  -0.293245D+01  0.333705D+01 -0.262839D+01  0.279265D+01  0.100342D+01
               146           147           148           149           150 
      1   0.435656D+01  0.100342D+01  0.340264D+01 -0.394306D+01 -0.228061D+00
      2  -0.453096D+01 -0.548386D+00 -0.394306D+01  0.544543D+01  0.926806D+00
      3  -0.548386D+00 -0.813383D+00 -0.228061D+00  0.926806D+00  0.704370D+00
               151           152           153           154           155 
      1   0.112576D+01 -0.416332D+00 -0.979628D+00 -0.452609D+01  0.820937D+00
      2  -0.416332D+00  0.111115D+01  0.126091D+01  0.820937D+00 -0.935773D+00
      3  -0.979628D+00  0.126091D+01  0.373787D+00 -0.328262D+01  0.578918D+00
               156           157           158           159           160 
      1  -0.328262D+01 -0.192286D+00 -0.506703D+00  0.686850D-01 -0.288674D+01
      2   0.578918D+00 -0.506703D+00  0.952796D-01 -0.821139D+00  0.554153D+00
      3  -0.384797D+01  0.686850D-01 -0.821139D+00  0.504420D+00 -0.335546D+01
               161           162           163           164           165 
      1   0.554153D+00 -0.335546D+01  0.311438D+01  0.203877D+01 -0.257419D+01
      2  -0.984890D+00  0.119595D+01  0.203877D+01  0.279722D+01 -0.212566D+01
      3   0.119595D+01 -0.557142D+01 -0.257419D+01 -0.212566D+01  0.296786D+01
               166           167           168           169           170 
      1   0.120186D+01  0.199049D+01 -0.126809D+01 -0.133087D+01 -0.112923D+01
      2   0.199049D+01  0.305577D+01 -0.215832D+01 -0.112923D+01 -0.151331D+01
      3  -0.126809D+01 -0.215832D+01  0.241374D+01  0.139684D+01  0.220704D+01
               171           172           173           174           175 
      1   0.139684D+01  0.524214D+01  0.634593D+00  0.183764D+01  0.815726D+00
      2   0.220704D+01  0.634593D+00  0.860690D+00 -0.243172D+00  0.514713D+00
      3  -0.347449D+01  0.183764D+01 -0.243172D+00  0.247883D+01 -0.101051D+00
               176           177           178           179           180 
      1   0.514713D+00 -0.101051D+00  0.172184D+01 -0.734415D-02  0.148703D+01
      2  -0.454461D+00  0.463950D+00 -0.734415D-02  0.366559D+00  0.236097D+00
      3   0.463950D+00  0.598032D+00  0.148703D+01  0.236097D+00  0.220693D+01
               181           182           183           184           185 
      1  -0.493247D+00 -0.102165D+01  0.766182D+00 -0.136306D+01 -0.179020D+01
      2  -0.102165D+01 -0.958094D+00  0.159805D+00 -0.179020D+01 -0.882865D+01
      3   0.766182D+00  0.159805D+00 -0.636830D+00  0.410300D+00  0.214773D+01
               186           187           188           189           190 
      1   0.410300D+00  0.277686D+00 -0.101264D+00 -0.457155D+00 -0.387063D+01
      2   0.214773D+01 -0.101264D+00  0.507492D-01 -0.812510D+00  0.560885D+00
      3  -0.174047D+01 -0.457155D+00 -0.812510D+00  0.372511D+00  0.355812D+01
               191           192           193           194           195 
      1   0.560885D+00  0.355812D+01  0.147192D+01 -0.101900D+01 -0.113856D+01
      2  -0.111906D+01 -0.228294D+00 -0.101900D+01  0.247244D+00  0.105257D+01
      3  -0.228294D+00 -0.408897D+01 -0.113856D+01  0.105257D+01  0.227738D+01
               196           197           198           199           200 
      1   0.269084D+01 -0.276181D+00 -0.325308D+01 -0.140979D+01  0.821216D+00
      2  -0.276181D+00  0.693980D+00  0.830525D+00  0.821216D+00 -0.370624D+00
      3  -0.325308D+01  0.830525D+00  0.580517D+01 -0.133028D+01  0.339944D+00
               201           202           203           204           205 
      1  -0.133028D+01  0.168034D+01 -0.695708D+00  0.545079D+00 -0.254448D+01
      2   0.339944D+00 -0.695708D+00  0.410893D+00 -0.122486D+01  0.682343D-01
      3  -0.174114D+01  0.545079D+00 -0.122486D+01  0.169133D+01 -0.271653D+01
               206           207           208           209           210 
      1   0.682343D-01 -0.271653D+01 -0.740293D+01  0.106917D+01  0.275665D+01
      2  -0.130808D+01  0.138220D+01  0.106917D+01 -0.950184D+00 -0.468304D+00
      3   0.138220D+01 -0.583636D+01  0.275665D+01 -0.468304D+00 -0.183227D+01
               211           212           213           214           215 
      1   0.305121D+01 -0.171082D+01 -0.798231D+00  0.551334D+01 -0.592813D+00
      2  -0.171082D+01  0.315069D+00  0.604927D+00 -0.592813D+00  0.920008D+00
      3  -0.798231D+00  0.604927D+00  0.108703D+01 -0.284625D+01  0.779634D+00
               216           217           218           219           220 
      1  -0.284625D+01 -0.124437D+01 -0.115403D+01  0.225900D+00 -0.308105D+01
      2   0.779634D+00 -0.115403D+01 -0.951808D+00 -0.100417D+00 -0.363175D+01
      3   0.235927D+01  0.225900D+00 -0.100417D+00 -0.230613D+00 -0.501702D+00
               221           222           223           224           225 
      1  -0.363175D+01 -0.501702D+00  0.380595D+00 -0.278025D+00 -0.894974D+00
      2  -0.840058D+01 -0.756433D+00 -0.278025D+00 -0.485917D+00 -0.821371D+00
      3  -0.756433D+00 -0.963198D+00 -0.894974D+00 -0.821371D+00 -0.489854D+00
               226           227           228           229           230 
      1   0.296439D+01  0.244149D+01 -0.119476D+01  0.191927D+01  0.160517D+01
      2   0.244149D+01  0.265700D+01 -0.754285D+00  0.160517D+01  0.438710D+01
      3  -0.119476D+01 -0.754285D+00  0.111153D+01 -0.842968D+00 -0.127937D+01
               231           232           233           234 
      1  -0.842968D+00 -0.196328D+01 -0.125785D+01  0.166232D+01
      2  -0.127937D+01 -0.125785D+01 -0.334604D+01  0.133742D+01
      3   0.805471D+00  0.166232D+01  0.133742D+01 -0.204735D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.199599D+01 -0.172787D+01  0.338745D+01  0.582033D+00 -0.293791D+01
      2  -0.665046D+01  0.766055D+01 -0.451027D+01  0.649028D+01  0.532066D+01
      3   0.865583D+01 -0.869489D+01 -0.761613D+01 -0.246323D+01  0.540517D+01
                 6             7             8             9            10 
      1  -0.134430D+01  0.364677D+01  0.968109D+01  0.233541D+01 -0.205794D+01
      2  -0.453658D+00 -0.101677D+02 -0.623138D+01 -0.989407D-01  0.214487D+01
      3  -0.177561D+01 -0.103303D+02 -0.282452D+01 -0.296915D+01 -0.905341D+00
                11            12            13            14            15 
      1  -0.331760D+01 -0.450216D+01 -0.301115D+01 -0.114824D+02 -0.415600D+01
      2  -0.241306D+01  0.271414D+00 -0.344431D+01  0.234006D+01  0.783783D+00
      3   0.762617D+01  0.511899D+01  0.122311D+02 -0.502567D+01 -0.329104D+00
                16            17            18            19            20 
      1  -0.546940D+01  0.561548D+01  0.157298D+02 -0.194715D+01  0.266542D+01
      2  -0.502787D+01  0.632773D+00 -0.559952D+01  0.245353D+01  0.701967D+01
      3   0.666235D+01  0.494121D+00  0.364172D+01  0.331882D+01 -0.108032D+01
                21            22            23            24            25 
      1  -0.674559D+01 -0.192833D+01 -0.976114D+01  0.777104D+01 -0.815155D+01
      2  -0.549231D+01  0.206835D+01 -0.750208D+01  0.879184D+01 -0.129997D+02
      3  -0.538631D+01  0.110630D+02 -0.172200D+02  0.854300D+01  0.103474D+01
                26            27            28            29            30 
      1   0.133978D+02  0.215445D+01 -0.882278D+01 -0.813419D+00  0.606368D+01
      2   0.723790D+01 -0.265976D+01 -0.843661D+01  0.358289D+01  0.791972D+01
      3   0.291149D+01 -0.217744D+00  0.871724D+01 -0.145697D+02  0.460677D+01
                31            32            33            34            35 
      1  -0.321017D+01  0.117832D+02 -0.934869D+01  0.186607D+01 -0.197528D+00
      2  -0.196499D+01  0.155200D+02 -0.887239D+01 -0.149579D+01 -0.426865D+01
      3  -0.223356D+00  0.518214D+01 -0.127742D+02  0.899021D+01 -0.164420D+02
                36            37            38            39            40 
      1   0.286484D+01 -0.140071D+01 -0.185724D+01  0.299136D+01 -0.452897D+01
      2  -0.248437D+01  0.103046D+02 -0.739888D+01 -0.207858D+01 -0.282858D+01
      3   0.206509D+01 -0.180269D+01 -0.996022D+00  0.193899D+01  0.860324D+01
                41            42            43            44            45 
      1   0.801555D+01 -0.986868D+01  0.691009D+01 -0.438701D+01 -0.259001D+01
      2   0.350194D+01 -0.195853D+01 -0.160884D+02  0.488276D+01  0.396621D+01
      3  -0.410202D+01 -0.201088D+01  0.318750D+01  0.759166D+00 -0.247599D+01
                46            47            48            49            50 
      1   0.420343D+01 -0.599830D+00 -0.190291D+01 -0.206224D+01 -0.457518D+01
      2  -0.134107D+02  0.108242D+01  0.927752D+01  0.296166D+01 -0.952351D+00
      3   0.420767D+01 -0.107262D+02 -0.212592D+01 -0.126994D+01 -0.144081D+02
                51            52            53            54            55 
      1  -0.162928D+01 -0.401050D+01  0.819218D+01  0.928365D+00  0.374281D+01
      2  -0.375422D+01  0.326908D+01 -0.759230D+01  0.386404D+01  0.252509D+01
      3  -0.125941D+01 -0.537245D+01  0.831252D+00  0.781789D+01 -0.275262D+01
                56            57            58            59            60 
      1   0.166137D+01  0.531565D+01  0.248703D+01  0.481513D+01 -0.515665D+01
      2   0.254382D+01  0.416407D+01  0.143955D+01  0.189833D+01 -0.138804D+01
      3  -0.473669D+01 -0.431232D+01  0.333028D+01  0.141096D+02 -0.202722D+01
                61            62            63            64            65 
      1   0.326442D+01  0.213679D+01 -0.117018D+02 -0.190388D+01  0.383648D+01
      2  -0.173255D+01 -0.245581D+01 -0.568503D+01 -0.193904D+01 -0.573009D+01
      3  -0.573827D+01 -0.387012D+01 -0.357106D+01  0.654184D+00 -0.729523D+01
                66            67            68            69            70 
      1  -0.104788D+02  0.681590D+01 -0.870057D+01  0.423822D+01 -0.748276D+01
      2   0.120582D+02 -0.285622D+01 -0.706478D+01  0.899028D+01  0.398659D+01
      3   0.765849D+01 -0.936944D+00 -0.138966D+01  0.337072D+01  0.514476D+01
                71            72            73            74            75 
      1   0.787009D+01  0.884326D+01 -0.313234D+01  0.675790D+00 -0.298302D+01
      2   0.676335D+01  0.697483D+01  0.264762D+01  0.126059D+01  0.613000D+01
      3   0.173521D+01  0.196556D+01  0.401181D+01 -0.363189D+01  0.259582D+01
                76            77            78            79            80 
      1   0.384180D+00 -0.626355D-01 -0.648271D-01 -0.334291D+01  0.133252D+01
      2  -0.640665D+00  0.628389D+00 -0.826717D+00  0.315377D+01  0.203327D+01
      3  -0.482711D+00  0.227410D+01 -0.139522D+01  0.468902D+01 -0.246293D+01
                81            82            83            84            85 
      1  -0.469222D+01  0.177130D+01  0.195609D+01  0.756869D-01  0.126781D+01
      2   0.915670D+01 -0.101341D+01 -0.117739D+01  0.148424D+01 -0.163636D+01
      3   0.267002D+01  0.200440D+01  0.342182D+00 -0.648922D+00  0.561953D+01
                86            87            88            89            90 
      1   0.101564D+02 -0.469632D+01  0.107940D+00 -0.243352D+01  0.207259D+00
      2  -0.150428D+01  0.777730D+00 -0.589020D-01  0.560771D+00  0.202860D+00
      3  -0.299710D+01  0.396739D+00 -0.192496D+01  0.435685D+00 -0.647107D+00
                91            92            93            94            95 
      1  -0.250232D+01 -0.377381D+00  0.286882D+01 -0.578207D+00 -0.134633D+01
      2   0.150398D+01  0.435071D+00 -0.734295D+00  0.105767D+01  0.600728D+00
      3  -0.224425D+01 -0.217529D+01  0.189793D+01 -0.653681D+00  0.788173D+00
                96            97            98            99           100 
      1   0.136525D+01  0.259062D+01  0.147500D+01 -0.186141D+02  0.738734D+01
      2  -0.477584D+00 -0.541217D+01  0.833513D+00  0.583030D+01  0.104574D+02
      3  -0.567228D+00  0.355156D+01 -0.699391D+00 -0.238774D+01 -0.110326D+02
               101           102           103           104           105 
      1  -0.100738D+01  0.349108D+01  0.392957D+00  0.289862D+00 -0.131028D+00
      2  -0.486958D+01  0.834451D+01  0.139819D+01 -0.139527D+01  0.481011D+00
      3  -0.321223D+01 -0.354706D+01 -0.162669D+01  0.113801D+01 -0.123804D+00
               106           107           108           109           110 
      1   0.328262D+01  0.811276D+00  0.164234D+01  0.211160D+01 -0.200194D+01
      2   0.229285D+01  0.226376D+01  0.521643D+01 -0.216430D+00 -0.276907D+01
      3  -0.878953D+01  0.117212D+01 -0.189163D+01  0.266584D+01  0.347478D+01
               111           112           113           114           115 
      1  -0.182479D+01  0.166627D+01 -0.284536D+01 -0.563215D+01 -0.221618D+01
      2  -0.900192D+00 -0.125932D+01 -0.729791D+01 -0.402540D+01 -0.857656D+00
      3   0.252100D+01  0.226799D+01  0.192970D+02  0.777892D+01  0.108934D+01
               116           117           118           119           120 
      1   0.134005D+01 -0.341014D+01  0.942568D+00  0.616882D+00 -0.358893D-01
      2  -0.502144D+01 -0.237436D+01 -0.465254D+00 -0.852634D+00  0.787937D+00
      3   0.120641D+02  0.412203D+01 -0.856431D-01 -0.615006D+00  0.562789D-01
               121           122           123           124           125 
      1  -0.193955D+00  0.597323D+01 -0.105379D+01 -0.168811D-01  0.329450D+01
      2  -0.298986D+01 -0.264702D+00  0.324332D+00 -0.251273D+01 -0.468150D+00
      3   0.491067D+01 -0.378819D-01  0.120783D+00  0.118993D+01  0.115223D-01
               126           127           128           129           130 
      1  -0.757822D+00 -0.922102D+01  0.267902D+01  0.314555D+01  0.578902D+01
      2  -0.273992D+00  0.133121D+02  0.129942D+01  0.104865D+02  0.238072D+01
      3   0.184127D+00  0.215148D+01  0.130211D+01  0.684886D+01  0.624051D+01
               131           132           133           134           135 
      1   0.154878D+02 -0.926346D+01  0.347063D+01 -0.543735D+00 -0.660831D+01
      2  -0.229146D+01  0.278070D+01  0.518576D+01  0.292198D+01 -0.414374D+01
      3   0.723962D+01 -0.985049D+00  0.672020D+01  0.405509D-01 -0.589576D+01
               136           137           138           139           140 
      1  -0.224226D+01 -0.212574D+00  0.280366D+01 -0.146767D+01 -0.158624D+01
      2   0.121618D+02 -0.186699D+01 -0.822049D+01 -0.248972D+01 -0.191329D+01
      3  -0.849035D+01  0.545858D+01  0.350409D+01  0.151733D+02  0.206098D+02
               141           142           143           144           145 
      1  -0.544069D+01  0.415850D+01 -0.757843D+00  0.405602D+01 -0.173447D+01
      2   0.936326D+01 -0.191311D+02  0.909575D+01 -0.106842D+02  0.534807D-02
      3   0.358277D+01  0.377879D+01  0.276518D+01 -0.120749D+02 -0.769555D+01
               146           147           148           149           150 
      1   0.307115D+00  0.308038D+01  0.399161D+00 -0.140655D+01 -0.404722D+01
      2   0.517750D+00  0.348771D+01 -0.489661D+00 -0.527349D+00 -0.226478D+01
      3  -0.623279D+00  0.991994D+00  0.472380D+01  0.979666D-01  0.208676D+00
               151           152           153           154           155 
      1   0.195034D+01 -0.827362D+00 -0.646680D+00  0.298761D+01  0.281693D+01
      2  -0.195557D+00 -0.129366D+01 -0.559851D+00 -0.983465D+01  0.522653D+00
      3   0.177930D+01  0.935680D+00 -0.330323D+00 -0.584165D+01 -0.173435D+01
               156           157           158           159           160 
      1   0.425929D+01  0.126286D+01  0.137813D+01 -0.368547D+00  0.340789D+01
      2  -0.284670D+01 -0.399259D+00 -0.712563D+00 -0.866409D+00 -0.660174D+01
      3  -0.343636D+01  0.930929D+00 -0.122148D+00 -0.508162D+00 -0.331462D+01
               161           162           163           164           165 
      1   0.245473D+01  0.376231D+01 -0.161668D+01 -0.485082D+01 -0.402519D+00
      2  -0.110276D+00 -0.256021D+01  0.993642D+01  0.515583D+01 -0.426084D+01
      3  -0.114392D+01 -0.323972D+01  0.610537D+01  0.183698D+01 -0.359695D+01
               166           167           168           169           170 
      1  -0.247786D+01 -0.412834D+01 -0.117674D+01  0.218269D+00  0.233906D+01
      2   0.452390D+01  0.510027D+01 -0.323116D+01 -0.476962D+01 -0.327875D+01
      3   0.454123D+01  0.218577D+01 -0.236772D+01 -0.283153D+01 -0.619843D+00
               171           172           173           174           175 
      1   0.167535D+00  0.423877D+01  0.324827D+01  0.197270D+01  0.225629D+01
      2   0.329597D+01 -0.178563D+02 -0.173364D+01 -0.389762D+01 -0.211071D+01
      3   0.255316D+01 -0.725345D+01 -0.221396D+01 -0.256883D+01  0.601432D+00
               176           177           178           179           180 
      1   0.521927D+00  0.598978D+00  0.221216D+01  0.219643D+01  0.260325D+01
      2  -0.179349D+01 -0.601711D+00 -0.694815D+01 -0.653101D+00 -0.404842D+01
      3  -0.100655D+01  0.871904D-01 -0.248485D+01 -0.806473D+00 -0.157513D+01
               181           182           183           184           185 
      1  -0.116334D+01 -0.182890D+01 -0.725023D+00 -0.318107D+01 -0.166959D+02
      2  -0.642174D+00  0.122882D+01  0.462947D+00  0.268893D+01 -0.221857D+00
      3  -0.110819D+01 -0.876091D+00 -0.686800D-01  0.301418D+01 -0.911543D+01
               186           187           188           189           190 
      1  -0.119465D+01 -0.575035D+00  0.502606D+00 -0.143158D+01  0.534837D+01
      2   0.190735D+01 -0.942133D+00  0.392444D+00  0.581052D+00  0.430010D+01
      3   0.225156D+01 -0.184977D+00 -0.251564D+00 -0.199123D+00  0.386645D+01
               191           192           193           194           195 
      1  -0.406948D+01 -0.496822D+01 -0.308443D+01  0.217718D+01  0.340227D+01
      2  -0.115451D+01  0.658565D-01 -0.227118D+01  0.222547D+00 -0.131328D+01
      3  -0.366259D+01 -0.357266D+01 -0.154869D+01  0.141885D+01  0.206759D+01
               196           197           198           199           200 
      1  -0.429298D+01  0.467114D+01  0.766781D+01 -0.169998D+01  0.815637D+00
      2  -0.488944D+01 -0.774962D-01 -0.941435D+00  0.331749D+01 -0.165241D+00
      3  -0.300807D+01  0.231176D+01  0.393718D+01  0.310570D+01 -0.207796D+01
               201           202           203           204           205 
      1  -0.110480D+01  0.458278D+00 -0.179033D+01  0.148230D+01 -0.142786D+01
      2   0.517450D+01  0.551354D+00  0.376304D+01 -0.635963D+01  0.321144D+01
      3   0.173139D+01 -0.125864D+01  0.234374D+01 -0.429191D+01  0.120515D+01
               206           207           208           209           210 
      1   0.453609D+01 -0.534056D+01  0.184789D+01 -0.851446D+00 -0.939905D+00
      2  -0.546725D+01  0.182318D+02 -0.990418D+01  0.173037D+01  0.964229D+01
      3  -0.563781D+01  0.662196D+01  0.846084D+01 -0.644628D+01 -0.313599D+01
               211           212           213           214           215 
      1  -0.211639D+00  0.834654D+00 -0.311475D+00 -0.178794D+01  0.171885D+01
      2   0.286688D+01 -0.235401D+01 -0.443344D+01  0.821227D+01 -0.300334D+01
      3  -0.483402D+01  0.229713D+01  0.216360D+01 -0.434856D+01  0.449754D+01
               216           217           218           219           220 
      1   0.980740D+00  0.586111D+00  0.363471D+00 -0.488422D+00  0.481265D+00
      2  -0.913307D+01 -0.794596D+00 -0.293762D-01  0.196065D+01  0.308427D+00
      3   0.437273D+01 -0.308888D+01 -0.374230D+01 -0.636759D+00 -0.484331D+01
               221           222           223           224           225 
      1   0.285356D+01 -0.365005D+01 -0.509476D+00  0.408183D+00 -0.357662D+00
      2   0.106839D+01  0.360615D+01  0.174813D+01  0.165540D+01  0.123105D+01
      3  -0.243032D+02 -0.183032D+01 -0.107667D+01 -0.167255D+01 -0.158188D+01
               226           227           228           229           230 
      1   0.228112D+01  0.187341D+01 -0.235330D+01  0.168888D+01  0.248705D+01
      2  -0.390273D+01 -0.333431D+01  0.472558D+01 -0.335507D+01 -0.416892D+01
      3  -0.171264D+01 -0.221826D+01  0.647309D+00  0.226353D+01 -0.856974D+01
               231           232           233           234 
      1  -0.382582D+01 -0.171465D+01 -0.353913D+01  0.274241D+01
      2   0.302052D+01  0.339773D+01  0.455830D+01 -0.729911D+01
      3   0.166905D+01  0.381964D+00  0.546574D+01 -0.894242D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.719931D+01 -0.108156D+02 -0.659009D+01 -0.358635D+01  0.240486D-02
      2   0.632957D+01  0.677686D+01  0.927215D+01  0.133760D+01  0.162796D+01
      3   0.869743D+00  0.403874D+01 -0.268206D+01  0.224875D+01 -0.163036D+01
      4  -0.805480D+01 -0.184212D+02  0.310063D+01 -0.301331D+01 -0.222856D+02
      5  -0.948638D+01  0.709028D+00 -0.176159D+02  0.757297D+01  0.485330D+01
      6  -0.185587D+01  0.796615D+01 -0.278928D+01  0.508290D+01  0.434588D+01
                 6             7             8             9            10 
      1   0.846770D+01 -0.820343D+01  0.852077D+01 -0.142817D+02 -0.681733D+01
      2  -0.298520D+01  0.122420D+02 -0.351019D+00  0.119297D+02  0.625414D+01
      3  -0.548250D+01 -0.403859D+01 -0.816976D+01  0.235196D+01  0.563192D+00
      4   0.832382D+01  0.845917D+01  0.178167D+02 -0.122024D+02 -0.451042D+00
      5   0.123005D+01 -0.221062D+02 -0.559733D+01 -0.898955D+01  0.237010D+01
      6  -0.251632D+01 -0.631393D+01 -0.673736D+01  0.333791D+00  0.841982D+01
                11            12            13            14            15 
      1   0.990462D+01 -0.143836D+01  0.133742D+02  0.229892D+02 -0.314174D+01
      2  -0.142323D+02 -0.500257D+00 -0.161588D+02 -0.473822D+02  0.991440D+00
      3   0.432768D+01  0.193862D+01  0.278454D+01  0.243930D+02  0.215030D+01
      4  -0.187558D+01  0.249964D+01  0.180619D+01 -0.150189D+02 -0.744145D+00
      5   0.145088D+01  0.136326D+01  0.117887D+01 -0.369325D+01  0.691977D+00
      6  -0.191207D+01  0.754449D+01 -0.361207D+01 -0.353219D+01  0.404628D+01
                16            17            18            19            20 
      1  -0.212893D+01 -0.452714D+01  0.160746D+02 -0.187194D+02  0.938602D+01
      2  -0.304528D+01  0.118995D+02  0.905832D+01 -0.601485D+01  0.124311D+02
      3   0.517421D+01 -0.737236D+01 -0.251329D+02  0.247343D+02 -0.218172D+02
      4   0.281652D+01 -0.145026D+01  0.440166D+01  0.564065D+02 -0.416067D+02
      5   0.434400D+01  0.103709D+01  0.320417D+01  0.243875D+02 -0.743165D+01
      6   0.673919D+01  0.168039D+01 -0.184691D+02 -0.110699D+02  0.129272D+01
                21            22            23            24            25 
      1   0.140023D+02  0.238459D+02 -0.178781D+02 -0.121406D+02 -0.118675D+01
      2  -0.102835D+02 -0.345737D+01 -0.909037D+01  0.173909D+02 -0.103693D+01
      3  -0.371878D+01 -0.203885D+02  0.269685D+02 -0.525026D+01  0.222368D+01
      4  -0.792819D+01 -0.498277D+02  0.627780D+02 -0.952463D+00 -0.392744D+01
      5  -0.113756D+02 -0.206950D+02  0.342299D+01  0.183729D+02  0.977605D+01
      6   0.114997D+02  0.738544D+01  0.340986D+01 -0.711489D+01  0.491855D+00
                26            27            28            29            30 
      1  -0.308156D+01 -0.350972D+01  0.750010D+01 -0.109770D+02 -0.247293D+02
      2   0.639578D+01 -0.876806D+01  0.458037D+01 -0.928963D+01  0.172805D+02
      3  -0.331422D+01  0.122778D+02 -0.120805D+02  0.202666D+02  0.744881D+01
      4  -0.439605D+01  0.839283D+01 -0.377172D+02  0.474292D+02  0.205704D+02
      5   0.149526D+01 -0.493151D+01 -0.448327D+02  0.174308D+02  0.203339D+02
      6   0.692359D+01 -0.116241D+01  0.218734D+02 -0.120365D+02 -0.107328D+02
                31            32            33            34            35 
      1  -0.164699D+02  0.202890D+02  0.187185D+02 -0.368558D+02  0.251467D+02
      2  -0.852560D+01  0.740811D+01 -0.243490D+02  0.247606D+02 -0.301278D+02
      3   0.249955D+02 -0.276971D+02  0.563047D+01  0.120952D+02  0.498104D+01
      4   0.548092D+02 -0.534385D+02  0.941479D+01  0.165659D+02  0.118609D+02
      5   0.102681D+02  0.105163D+02 -0.144961D+02  0.250547D+02 -0.185594D+02
      6  -0.505806D+01 -0.216791D+02  0.911701D+01 -0.145304D+02  0.140985D+02
                36            37            38            39            40 
      1   0.329745D+01  0.503321D+01 -0.609821D+01  0.232840D+01 -0.102613D+02
      2  -0.530951D+01  0.460560D+01 -0.444110D+00 -0.485626D+01 -0.491594D+00
      3   0.201206D+01 -0.963882D+01  0.654232D+01  0.252786D+01  0.107529D+02
      4  -0.175374D+02 -0.324177D+02  0.124476D+02  0.527444D+01  0.584361D+01
      5  -0.121271D+02 -0.458824D+01  0.428983D+00  0.221257D+00  0.354282D+01
      6  -0.127458D+01  0.485190D+01 -0.790934D+01 -0.433535D+01 -0.854519D+01
                41            42            43            44            45 
      1   0.253696D+02  0.752706D+01  0.149236D+02  0.418267D+01  0.441772D+01
      2  -0.617061D+01 -0.352321D+01 -0.930977D+01 -0.659281D+01 -0.513838D+00
      3  -0.191989D+02 -0.400385D+01 -0.561384D+01  0.241014D+01 -0.390388D+01
      4  -0.101027D+02 -0.209430D+01  0.126818D+02 -0.521005D+01 -0.680598D+01
      5  -0.618011D+01  0.197960D+01 -0.580137D+01  0.367382D+01 -0.175331D+01
      6  -0.275649D+01 -0.200410D+02 -0.193670D+01 -0.169640D+02 -0.126341D+01
                46            47            48            49            50 
      1  -0.143242D+02 -0.599870D+01 -0.139521D+02 -0.311754D+01  0.126764D+01
      2   0.918330D+00  0.366150D+01  0.116330D+02  0.632776D+01 -0.464550D+00
      3   0.134059D+02  0.233720D+01  0.231905D+01 -0.321022D+01 -0.803086D+00
      4   0.190130D+01  0.334497D+01 -0.915653D+01  0.527015D+00  0.210609D+02
      5  -0.144620D+02 -0.122320D+01  0.861504D+01 -0.668810D+00 -0.183550D+01
      6  -0.610478D+01  0.153554D+00  0.380797D+01  0.938881D+00 -0.764672D+01
                51            52            53            54            55 
      1  -0.683376D+01 -0.186048D+02 -0.437968D+01  0.992987D+01 -0.417810D+01
      2  -0.263464D+01  0.137387D+02  0.128140D+01 -0.666983D+01 -0.848896D+01
      3   0.946841D+01  0.486607D+01  0.309829D+01 -0.326004D+01  0.126671D+02
      4  -0.135845D+01 -0.187799D+02  0.332801D+00  0.189549D+01  0.180690D+02
      5  -0.466963D+01  0.103100D+02 -0.522923D+01  0.229388D+01  0.456651D+01
      6   0.200127D+01  0.406851D+01 -0.835730D+00  0.583834D+00 -0.607066D+01
                56            57            58            59            60 
      1   0.121052D+01  0.364388D+01 -0.259365D+01 -0.147531D+02  0.117888D+01
      2   0.136268D+02 -0.527233D+01  0.113047D+02  0.790831D+01  0.327332D+00
      3  -0.148373D+02  0.162845D+01 -0.871101D+01  0.684483D+01 -0.150621D+01
      4  -0.235360D+02 -0.553686D+01 -0.222204D+02  0.111461D+02  0.591012D+01
      5  -0.371102D+01 -0.112536D+01 -0.600304D+01  0.648373D+01  0.260616D+01
      6  -0.138319D+01 -0.817345D+01  0.671239D+00  0.386392D+01 -0.809689D+00
                61            62            63            64            65 
      1   0.343344D+01  0.392453D+01  0.293307D+01  0.697071D+01  0.104587D+02
      2  -0.278932D+01 -0.932508D+01  0.526825D+01  0.633002D+01 -0.679193D+01
      3  -0.644116D+00  0.540054D+01 -0.820131D+01 -0.133007D+02 -0.366675D+01
      4  -0.275992D+01  0.768489D+01 -0.336124D+01 -0.383868D+00 -0.554569D+01
      5   0.852224D+00 -0.317085D+00 -0.124711D+01 -0.514529D+01  0.796864D+01
      6  -0.600037D+01  0.279641D+01  0.114847D+02  0.130121D+02  0.158098D+02
                66            67            68            69            70 
      1  -0.402906D+01  0.150164D+02 -0.986464D+01 -0.216302D+01  0.104526D+00
      2   0.150661D+02 -0.373386D+01  0.361003D+01 -0.631875D+01  0.121163D+02
      3  -0.110371D+02 -0.112826D+02  0.625462D+01  0.848177D+01 -0.122208D+02
      4   0.771285D+01 -0.367796D+01 -0.386594D+01  0.383002D+01  0.386437D+00
      5  -0.180164D+02  0.202442D+01  0.937261D+01 -0.960814D+01 -0.158190D+02
      6  -0.219258D+01  0.140280D+02 -0.122600D+02 -0.719766D+00  0.209136D+01
                71            72            73            74            75 
      1  -0.522318D+01 -0.609568D+01  0.243875D+02  0.249525D+01  0.118167D+02
      2   0.480017D+00 -0.231890D+01 -0.186954D+02 -0.203270D+01 -0.123111D+02
      3   0.474316D+01  0.841458D+01 -0.569203D+01 -0.462545D+00  0.494446D+00
      4   0.602251D+01  0.292010D+01  0.871391D+01  0.888522D+01  0.565388D+01
      5  -0.309053D+01 -0.492120D+01  0.212304D+02  0.322808D+01  0.188338D+02
      6  -0.310120D+01  0.148706D+01  0.272114D+01  0.146324D+01  0.352064D+01
                76            77            78            79            80 
      1  -0.447977D+01  0.128454D+01 -0.264892D+01  0.141464D+02 -0.493204D+00
      2   0.423632D+01 -0.692816D+00  0.338761D+01 -0.155226D+02 -0.217937D-01
      3   0.243443D+00 -0.591723D+00 -0.738695D+00  0.137617D+01  0.514998D+00
      4   0.606127D+01  0.795303D+00  0.276262D+01  0.685151D+01  0.344331D+01
      5  -0.310102D+01  0.398916D+01 -0.236544D+01  0.231999D+02  0.496262D+01
      6   0.217214D+01 -0.898518D-01  0.393546D+01  0.401746D+01  0.486196D+01
                81            82            83            84            85 
      1   0.781625D+01 -0.510978D+00 -0.253328D+01 -0.301169D+00 -0.411879D+01
      2  -0.168849D+02  0.700089D+01  0.868649D+01  0.879562D+00  0.104817D+02
      3   0.906862D+01 -0.648992D+01 -0.615321D+01 -0.578393D+00 -0.636293D+01
      4   0.827926D+01  0.700025D+01  0.141045D+02  0.720485D+00  0.114371D+02
      5   0.267533D+02  0.153052D+01  0.240398D+01  0.208724D+01  0.207339D+01
      6   0.536581D+01  0.882371D+00  0.252705D+01  0.625869D+00  0.331034D+01
                86            87            88            89            90 
      1  -0.412072D+02 -0.332572D+01  0.293127D+00  0.272590D+01 -0.588774D+01
      2   0.764601D+02  0.322241D+01 -0.846175D+00 -0.802948D+01  0.488369D+01
      3  -0.352529D+02  0.103311D+00  0.553048D+00  0.530359D+01  0.100405D+01
      4   0.231837D+02  0.203628D+01 -0.162912D+01 -0.234670D+01  0.156818D+01
      5   0.309795D+01  0.178671D+01  0.965467D+00  0.200473D+01 -0.251402D+00
      6   0.146421D+02  0.904155D+01  0.413756D+00  0.869584D+01  0.162585D+01
                91            92            93            94            95 
      1  -0.963095D+00  0.822042D+00  0.354446D+01 -0.172497D+01 -0.614146D+01
      2  -0.370261D+01 -0.434236D-01 -0.673128D-02  0.764862D+00  0.569203D+01
      3   0.466570D+01 -0.778618D+00 -0.353772D+01  0.960108D+00  0.449431D+00
      4  -0.208362D+01  0.311779D+01  0.310289D+01  0.595043D+00 -0.674396D-01
      5  -0.206532D+01  0.818458D+00  0.645545D+01 -0.276158D+00 -0.660754D-02
      6   0.241179D+01 -0.233284D+01 -0.482007D+01 -0.861396D+00  0.390019D+01
                96            97            98            99           100 
      1  -0.175594D+01  0.444204D+01 -0.809855D+01 -0.263804D+02  0.618514D+02
      2   0.355637D+01  0.108797D+01  0.261599D+01 -0.135584D+02 -0.286500D+02
      3  -0.180043D+01 -0.553001D+01  0.548257D+01  0.399388D+02 -0.332015D+02
      4  -0.102303D+00  0.348533D+01  0.897717D-01 -0.221636D+00 -0.320075D+02
      5  -0.472244D+00  0.511807D+01  0.643825D+00  0.216884D+01  0.180441D+02
      6   0.525162D+01 -0.297541D+01  0.122794D+02  0.301521D+02 -0.107005D+02
               101           102           103           104           105 
      1  -0.105971D+02  0.152592D+02 -0.889335D+00  0.519255D+01  0.110545D+01
      2   0.157726D+01 -0.770821D+01 -0.396081D+01  0.256148D+01 -0.408242D+00
      3   0.901986D+01 -0.755095D+01  0.485014D+01 -0.775402D+01 -0.697203D+00
      4   0.171712D+02 -0.100463D+02  0.132828D+02 -0.104993D+02 -0.328072D+00
      5  -0.596668D+01  0.111896D+02  0.336635D+01 -0.123929D+01 -0.280010D+00
      6   0.427115D+01 -0.598995D+01 -0.630399D+00  0.171654D+01  0.156428D+01
               106           107           108           109           110 
      1   0.311158D+02 -0.753745D+01  0.822429D+01  0.377583D+01 -0.100008D+02
      2  -0.172658D+02  0.383020D+01 -0.658832D+01  0.215075D+01  0.689957D+01
      3  -0.138500D+02  0.370725D+01 -0.163596D+01 -0.592658D+01  0.310124D+01
      4  -0.133341D+02  0.260714D+01 -0.343132D+01 -0.541514D+01  0.449994D+01
      5   0.938050D+01  0.189182D-01  0.947686D+01  0.182867D+01 -0.266516D+01
      6  -0.396836D+01  0.130004D+01 -0.344256D+01  0.343155D-01  0.612769D+01
               111           112           113           114           115 
      1  -0.252207D+01 -0.295357D+01 -0.256551D+02 -0.104826D+02  0.114973D+01
      2   0.247315D+01 -0.185128D+01  0.423902D+02  0.128499D+02 -0.275189D+01
      3   0.489193D-01  0.480485D+01 -0.167351D+02 -0.236737D+01  0.160217D+01
      4  -0.250602D+01  0.124368D+02 -0.310004D+02 -0.115841D+02 -0.196140D+00
      5  -0.115155D+01  0.371583D+01 -0.139279D+02 -0.876781D+01  0.284348D-01
      6   0.346012D+01 -0.371867D+01  0.221225D+02  0.133029D+02  0.652653D+00
               116           117           118           119           120 
      1  -0.163051D+02 -0.906717D+01 -0.124327D-01 -0.142902D+01 -0.158188D+01
      2   0.209538D+02  0.756119D+01  0.234681D+00  0.549762D+00  0.224723D+00
      3  -0.464870D+01  0.150598D+01 -0.222249D+00  0.879260D+00  0.135715D+01
      4  -0.116547D+02 -0.427954D+01  0.216760D+01  0.769238D+01  0.354257D+01
      5  -0.571795D+01 -0.380532D+01  0.715658D+00  0.453222D+01  0.572343D+01
      6   0.115993D+02  0.923664D+01  0.519134D+01  0.200828D+01  0.267515D+01
               121           122           123           124           125 
      1  -0.282604D+01 -0.183564D+02 -0.129790D+02 -0.399665D+00 -0.103606D+02
      2   0.152470D+01  0.153026D+02  0.536598D+01  0.306248D+00  0.240917D+01
      3   0.130134D+01  0.305384D+01  0.761304D+01  0.934174D-01  0.795143D+01
      4   0.640776D+01  0.516871D+01  0.284676D+01  0.837664D+00  0.233224D+01
      5   0.350614D+01  0.160287D+01  0.214387D+01  0.324626D+01  0.152729D+01
      6   0.222721D+01  0.225888D+02  0.193390D+02  0.257566D+01  0.167391D+02
               126           127           128           129           130 
      1  -0.151075D+02  0.113039D+02  0.406564D+01  0.659611D+01  0.625615D+01
      2  -0.960818D+00  0.119767D+02 -0.701004D+01 -0.134152D+02 -0.128298D+02
      3   0.160684D+02 -0.232807D+02  0.294439D+01  0.681914D+01  0.657367D+01
      4   0.336179D+01  0.779792D+01  0.469766D+00  0.399476D+01 -0.118145D+01
      5   0.157749D+01  0.610959D+01 -0.543077D+01 -0.217770D+02 -0.694439D+01
      6   0.164064D+02 -0.612343D+00  0.395478D+01  0.235003D+01  0.579879D+01
               131           132           133           134           135 
      1   0.964173D+01  0.294606D+01  0.621841D+01  0.568565D+01 -0.126731D+02
      2  -0.250555D+02  0.139776D+02 -0.122535D+02  0.568507D+01  0.133407D+02
      3   0.154137D+02 -0.169237D+02  0.603512D+01 -0.113707D+02 -0.667536D+00
      4  -0.182902D+02  0.186315D+01  0.547026D+01 -0.306602D+00  0.190621D+01
      5   0.433931D+01  0.103199D+02 -0.215233D+02  0.635357D+01  0.108639D+02
      6   0.219845D+02  0.105664D+01  0.117926D+01  0.490695D+01 -0.131069D+02
               136           137           138           139           140 
      1   0.239846D+00  0.167892D+02  0.255135D+02  0.235485D+02  0.112253D+01
      2   0.248674D+01 -0.127731D+02 -0.121914D+02 -0.210348D+02 -0.153695D+02
      3  -0.272658D+01 -0.401608D+01 -0.133221D+02 -0.251362D+01  0.142470D+02
      4   0.163307D+02 -0.583438D+01  0.249374D+01 -0.120000D+02 -0.370128D+02
      5   0.265682D+02 -0.995274D+00 -0.145647D+02 -0.260093D+01 -0.432334D+01
      6   0.433617D+01 -0.973195D+00 -0.142773D+01 -0.198262D+01 -0.624880D+01
               141           142           143           144           145 
      1  -0.915790D+00  0.311341D+02 -0.219931D+01 -0.193181D+02  0.156448D+02
      2  -0.230406D+01 -0.150593D+02 -0.217498D+01  0.170919D+02  0.405430D+01
      3   0.321985D+01 -0.160748D+02  0.437429D+01  0.222613D+01 -0.196991D+02
      4  -0.363450D+01  0.306764D+01 -0.357719D+01  0.122764D+02 -0.314599D+02
      5   0.154010D+02 -0.211957D+02  0.142823D+02 -0.155138D+02 -0.410079D+01
      6   0.210248D+01 -0.184219D+01  0.250741D+01 -0.108112D+01  0.218233D+01
               146           147           148           149           150 
      1  -0.508974D+01 -0.192841D+01 -0.129683D+01 -0.427495D+01 -0.646656D+00
      2  -0.114696D+02  0.776894D-01 -0.123825D+02  0.231101D+02  0.297466D+01
      3   0.165593D+02  0.185072D+01  0.136794D+02 -0.188352D+02 -0.232801D+01
      4   0.285730D+02  0.400414D+01  0.244194D+02 -0.277747D+02 -0.351288D+01
      5   0.244327D+01  0.592336D+01  0.186509D+01 -0.269439D+01 -0.250110D+01
      6  -0.181009D+01 -0.338772D+01 -0.145964D+01  0.253431D+01  0.637001D+01
               151           152           153           154           155 
      1  -0.159094D+01 -0.543153D+00 -0.112645D+01  0.349496D+01  0.212029D+01
      2   0.394873D-01  0.338048D+01  0.214033D+01 -0.126146D+02 -0.121328D+00
      3   0.155145D+01 -0.283733D+01 -0.101388D+01  0.911960D+01 -0.199896D+01
      4   0.408355D+01 -0.403458D+01 -0.560220D+01 -0.471347D+01  0.460051D+01
      5   0.590064D+01 -0.440174D+01 -0.234883D+01  0.199197D+02 -0.489019D+01
      6  -0.415692D+01  0.791065D+01  0.105579D+01 -0.901018D+01  0.477239D+01
               156           157           158           159           160 
      1  -0.391556D+01 -0.109469D+01 -0.806811D+00  0.139900D+01 -0.309735D+01
      2  -0.124435D+02 -0.771623D+00 -0.101395D+01 -0.163878D+01 -0.110889D+02
      3   0.163591D+02  0.186631D+01  0.182076D+01  0.239772D+00  0.141862D+02
      4  -0.541906D+01  0.509163D+01 -0.150037D+01  0.257653D+01 -0.428519D+01
      5   0.191605D+02 -0.117821D+01  0.344088D+01 -0.117726D+01  0.171915D+02
      6  -0.936457D+01  0.296274D+01 -0.235643D+01  0.726146D+01 -0.692865D+01
               161           162           163           164           165 
      1   0.361207D+01 -0.115795D+02 -0.361361D+01 -0.802434D+01  0.887685D+01
      2   0.883933D+00 -0.167814D+02 -0.149422D+01  0.468693D+01  0.121525D+01
      3  -0.449601D+01  0.283609D+02  0.510782D+01  0.333742D+01 -0.100921D+02
      4   0.245570D+01 -0.407020D+01  0.875964D+01  0.849128D+01 -0.707690D+01
      5  -0.312186D+01  0.207540D+02 -0.118078D+02 -0.798347D+01  0.130835D+02
      6   0.781297D+01 -0.128992D+02 -0.104483D+02 -0.139444D+02  0.128653D+02
               166           167           168           169           170 
      1  -0.515310D+01 -0.107825D+02  0.940036D+01  0.411594D+01  0.777138D+01
      2   0.303538D+01  0.101648D+02 -0.200014D+01  0.689726D+00 -0.398080D+00
      3   0.211772D+01  0.617704D+00 -0.740022D+01 -0.480566D+01 -0.737330D+01
      4   0.754351D+01  0.625741D+01 -0.480725D+01 -0.451608D+01 -0.430051D+01
      5  -0.560208D+01 -0.694441D+01  0.533676D+01  0.914162D+01  0.494969D+01
      6  -0.894954D+01 -0.148454D+02  0.150254D+02  0.654333D+01  0.124432D+02
               171           172           173           174           175 
      1  -0.112030D+02 -0.488913D+01  0.750122D+00 -0.973069D+01 -0.849639D+00
      2  -0.339259D+01 -0.463062D+01 -0.568348D+00 -0.379277D+01  0.110349D+01
      3   0.145955D+02  0.951975D+01 -0.181774D+00  0.135235D+02 -0.253856D+00
      4   0.478261D+01 -0.908197D+01  0.530047D+00 -0.224915D+01  0.129950D+01
      5  -0.799236D+01  0.137852D+02  0.180445D+01  0.827032D+01  0.198926D+01
      6  -0.150350D+02 -0.618084D-01  0.398054D+01 -0.489946D+01  0.221187D+01
               176           177           178           179           180 
      1  -0.300993D+01 -0.587615D+00 -0.585598D+01 -0.435670D+00 -0.678559D+01
      2   0.331933D+01 -0.272522D+01 -0.280814D+01 -0.107924D+01 -0.629149D+01
      3  -0.309396D+00  0.331283D+01  0.866411D+01  0.151491D+01  0.130771D+02
      4   0.888104D+00  0.821552D-01 -0.282149D+01  0.823191D+00 -0.301819D+01
      5   0.171875D+01 -0.164566D+01  0.955200D+01 -0.742354D-01  0.547544D+01
      6  -0.198927D+01  0.228922D+01 -0.220927D+01  0.249640D+01 -0.187895D+01
               181           182           183           184           185 
      1  -0.477658D+00  0.150377D+01 -0.331225D+00 -0.612560D+00 -0.210014D+02
      2   0.170071D+01  0.177567D+01  0.154993D+01  0.541066D+01  0.386017D+02
      3  -0.122305D+01 -0.327944D+01 -0.121871D+01 -0.479810D+01 -0.176002D+02
      4   0.449587D+01  0.817656D+01 -0.236266D+01  0.106274D+02  0.216134D+02
      5  -0.254466D+01 -0.326411D+01  0.507924D+01 -0.435217D+01 -0.593290D+01
      6  -0.327133D+01 -0.324888D+01  0.121469D+01 -0.616125D+01 -0.305051D+02
               186           187           188           189           190 
      1   0.793882D+01  0.385245D+00  0.218302D+01 -0.253298D+01  0.896569D+01
      2  -0.534569D+01  0.190563D+01  0.155091D+01  0.144465D+01 -0.176737D+02
      3  -0.259313D+01 -0.229087D+01 -0.373392D+01  0.108833D+01  0.870805D+01
      4  -0.529169D+01 -0.710634D-01  0.563281D+00  0.238164D+01  0.249309D+01
      5   0.409418D+01  0.335506D+01  0.153681D+01 -0.179176D+01 -0.237719D+02
      6   0.138618D+02  0.127496D+01  0.685551D+01 -0.316161D+01 -0.255545D-02
               191           192           193           194           195 
      1  -0.223671D+01 -0.152395D+01 -0.329821D+01 -0.686885D+00 -0.169861D+01
      2   0.396651D+01  0.168241D+02  0.681237D+01 -0.866798D+00 -0.866316D+01
      3  -0.172979D+01 -0.153002D+02 -0.351416D+01  0.155368D+01  0.103618D+02
      4   0.389409D+01 -0.316886D+01  0.317196D+01 -0.756643D+00 -0.300484D+01
      5   0.305109D+01  0.249971D+02  0.848496D+01 -0.591020D+01 -0.966740D+01
      6  -0.546376D+01  0.166391D+01 -0.463651D+01  0.205502D+01  0.520649D+01
               196           197           198           199           200 
      1  -0.118131D+01 -0.572044D+00 -0.669612D+01  0.940413D+01 -0.435891D+01
      2   0.141750D+02 -0.373926D+01 -0.229835D+02 -0.841595D+01  0.322364D+01
      3  -0.129937D+02  0.431131D+01  0.296796D+02 -0.988186D+00  0.113528D+01
      4  -0.240172D+01 -0.276560D+01  0.165580D+01 -0.335633D+01  0.292736D+01
      5   0.207212D+02 -0.333437D+01 -0.270738D+02  0.937926D+01 -0.317786D+01
      6   0.640251D+00  0.539078D+01 -0.781545D+00 -0.442861D+00  0.557046D+00
               201           202           203           204           205 
      1   0.638717D+01 -0.964848D+01  0.895885D+00 -0.194227D+01  0.126118D+02
      2  -0.677471D+01  0.655757D+01 -0.205414D+00  0.371663D+01 -0.110151D+02
      3   0.387541D+00  0.309091D+01 -0.690472D+00 -0.177435D+01 -0.159673D+01
      4  -0.176203D+01  0.453883D+01 -0.217431D+01  0.638871D+01  0.116414D+00
      5   0.147002D+02 -0.492812D+01  0.629406D+01 -0.100891D+02  0.209833D+02
      6   0.681907D+00  0.867838D+00 -0.140669D+01  0.258751D+01  0.221616D+01
               206           207           208           209           210 
      1  -0.366501D+00  0.674275D+01  0.541550D+02 -0.915891D+01 -0.185145D+02
      2   0.337689D+01 -0.174654D+02 -0.295340D+02  0.560053D+01  0.105346D+02
      3  -0.301039D+01  0.107226D+02 -0.246210D+02  0.355837D+01  0.797995D+01
      4   0.789615D+01 -0.548303D+01 -0.307302D+01  0.863065D+01  0.117989D+01
      5  -0.751318D+01  0.341525D+02 -0.199579D+02  0.307084D+01  0.156368D+02
      6   0.304948D+01  0.328991D+01 -0.201163D+01 -0.582920D-01  0.183073D+01
               211           212           213           214           215 
      1  -0.188779D+02  0.695057D+01  0.452783D+01 -0.323626D+02  0.395747D+01
      2   0.111333D+02 -0.169061D+01 -0.258826D+01  0.188241D+02 -0.255027D+01
      3   0.774464D+01 -0.525995D+01 -0.193957D+01  0.135385D+02 -0.140720D+01
      4   0.106838D+02 -0.236798D+01 -0.428289D+01 -0.158613D+00 -0.659590D+01
      5   0.584756D+01 -0.410588D+01 -0.724044D+01  0.215713D+02 -0.507509D+01
      6  -0.766289D+00  0.145501D+01  0.138404D+01  0.179610D+01  0.128158D+01
               216           217           218           219           220 
      1   0.147736D+02  0.661151D+01  0.580521D+01 -0.140812D+01  0.948825D+01
      2  -0.122097D+02  0.127348D+00 -0.479153D+00  0.112546D+01  0.440167D+01
      3  -0.256391D+01 -0.673886D+01 -0.532606D+01  0.282653D+00 -0.138899D+02
      4  -0.308651D+01  0.866096D+01  0.124172D+02  0.111229D+01  0.264593D+02
      5  -0.171078D+02 -0.801276D+00  0.178537D+01  0.328977D+01  0.404088D+01
      6  -0.146672D+01  0.796276D+00  0.993567D+00  0.433065D+00  0.331854D+01
               221           222           223           224           225 
      1  -0.509066D+01  0.283263D+00 -0.284218D+01 -0.138107D+00  0.108723D+01
      2   0.271418D+02  0.878473D+00  0.141655D+01  0.850701D+00  0.314316D+00
      3  -0.220511D+02 -0.116174D+01  0.142563D+01 -0.712594D+00 -0.140155D+01
      4   0.493374D+02  0.433968D+01  0.143630D+01  0.310752D+01  0.457452D+01
      5   0.457954D+01  0.635851D+01  0.640160D+01  0.441214D+01  0.283928D+01
      6   0.795778D+01  0.679572D+01  0.270871D+01  0.633077D+01  0.147593D+01
               226           227           228           229           230 
      1   0.166988D+02  0.115838D+02 -0.548428D+01  0.753476D+01  0.280451D+01
      2  -0.600135D+01 -0.299541D+01  0.140594D+01  0.342917D+00  0.610223D+01
      3  -0.106974D+02 -0.858838D+01  0.407834D+01 -0.787768D+01 -0.890674D+01
      4   0.196016D+02  0.219650D+02 -0.667314D+01  0.156277D+02  0.261095D+02
      5  -0.688022D+01 -0.330984D+01  0.766348D+01 -0.312671D+01 -0.691765D+01
      6  -0.505025D+01 -0.480542D+01  0.393937D+01 -0.460346D+01 -0.618344D+01
               231           232           233           234 
      1  -0.294855D+01 -0.975841D+01 -0.416694D+01  0.561394D+01
      2  -0.171921D+01  0.349658D+01 -0.192191D+01 -0.367031D+01
      3   0.466776D+01  0.626183D+01  0.608885D+01 -0.194363D+01
      4  -0.868595D+01 -0.113777D+02 -0.203979D+02  0.107032D+02
      5   0.265873D+01  0.101009D+02  0.731656D+01 -0.971412D+01
      6   0.666226D+01  0.563563D+01  0.822662D+01 -0.639779D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 22:27:22 2021, MaxMem= 17179869184 cpu:           32174.3 elap:            2687.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44209 -10.44201 -10.43439 -10.43396 -10.43266
 Alpha  occ. eigenvalues --  -10.42990 -10.42728 -10.42155 -10.41649 -10.41591
 Alpha  occ. eigenvalues --   -1.02914  -0.92843  -0.89236  -0.87353  -0.81705
 Alpha  occ. eigenvalues --   -0.79159  -0.74927  -0.72013  -0.66863  -0.61413
 Alpha  occ. eigenvalues --   -0.59472  -0.59372  -0.56036  -0.54536  -0.54067
 Alpha  occ. eigenvalues --   -0.51700  -0.50303  -0.49900  -0.48641  -0.47892
 Alpha  occ. eigenvalues --   -0.47368  -0.45460  -0.43972  -0.41827  -0.39831
 Alpha  occ. eigenvalues --   -0.38991  -0.37580  -0.33410
 Alpha virt. eigenvalues --   -0.01140  -0.00356  -0.00253  -0.00203   0.01391
 Alpha virt. eigenvalues --    0.01396   0.01544   0.01611   0.01943   0.03743
 Alpha virt. eigenvalues --    0.03874   0.03941   0.04232   0.04625   0.05430
 Alpha virt. eigenvalues --    0.06583   0.07117   0.08389   0.09078   0.09524
 Alpha virt. eigenvalues --    0.09830   0.10096   0.10453   0.10536   0.11137
 Alpha virt. eigenvalues --    0.11402   0.11710   0.12101   0.12321   0.12580
 Alpha virt. eigenvalues --    0.13261   0.13381   0.13590   0.14278   0.14457
 Alpha virt. eigenvalues --    0.14950   0.15225   0.15759   0.16199   0.16493
 Alpha virt. eigenvalues --    0.16969   0.17677   0.18200   0.18370   0.18437
 Alpha virt. eigenvalues --    0.19139   0.19748   0.20389   0.21534   0.22098
 Alpha virt. eigenvalues --    0.22973   0.23408   0.24382   0.24997   0.25357
 Alpha virt. eigenvalues --    0.26108   0.26942   0.27400   0.27636   0.27995
 Alpha virt. eigenvalues --    0.28859   0.29030   0.29181   0.30822   0.31458
 Alpha virt. eigenvalues --    0.32167   0.32574   0.33158   0.33479   0.34337
 Alpha virt. eigenvalues --    0.35301   0.35753   0.36072   0.36417   0.36661
 Alpha virt. eigenvalues --    0.37683   0.38144   0.38304   0.39231   0.39487
 Alpha virt. eigenvalues --    0.40328   0.41092   0.41272   0.42173   0.42286
 Alpha virt. eigenvalues --    0.43055   0.43908   0.44248   0.44397   0.44971
 Alpha virt. eigenvalues --    0.45416   0.45711   0.46036   0.46302   0.46843
 Alpha virt. eigenvalues --    0.47321   0.48755   0.49050   0.50231   0.50278
 Alpha virt. eigenvalues --    0.50952   0.51333   0.52234   0.52477   0.53341
 Alpha virt. eigenvalues --    0.53488   0.54853   0.55130   0.55300   0.56085
 Alpha virt. eigenvalues --    0.57055   0.57304   0.58085   0.58549   0.58926
 Alpha virt. eigenvalues --    0.59711   0.60091   0.60670   0.61234   0.61650
 Alpha virt. eigenvalues --    0.61877   0.62218   0.63031   0.63618   0.63890
 Alpha virt. eigenvalues --    0.65290   0.65311   0.65804   0.66660   0.67169
 Alpha virt. eigenvalues --    0.68035   0.68417   0.68788   0.69443   0.70173
 Alpha virt. eigenvalues --    0.70300   0.70841   0.71075   0.71978   0.72475
 Alpha virt. eigenvalues --    0.72604   0.73826   0.74164   0.74624   0.75322
 Alpha virt. eigenvalues --    0.75575   0.76213   0.76886   0.77484   0.77891
 Alpha virt. eigenvalues --    0.78633   0.78925   0.79350   0.80754   0.81438
 Alpha virt. eigenvalues --    0.82160   0.82389   0.82584   0.83323   0.83817
 Alpha virt. eigenvalues --    0.84272   0.84916   0.86438   0.86636   0.86931
 Alpha virt. eigenvalues --    0.87546   0.89357   0.90463   0.90716   0.91483
 Alpha virt. eigenvalues --    0.93854   0.94694   0.95147   0.96179   0.97006
 Alpha virt. eigenvalues --    0.97581   1.01089   1.02098   1.02567   1.03679
 Alpha virt. eigenvalues --    1.05505   1.06361   1.06883   1.08231   1.09226
 Alpha virt. eigenvalues --    1.09645   1.11361   1.12125   1.13667   1.15723
 Alpha virt. eigenvalues --    1.15872   1.16916   1.17768   1.18895   1.22987
 Alpha virt. eigenvalues --    1.23662   1.24236   1.25514   1.27155   1.28575
 Alpha virt. eigenvalues --    1.29151   1.32158   1.32859   1.35313   1.36299
 Alpha virt. eigenvalues --    1.37997   1.39435   1.41099   1.43159   1.44693
 Alpha virt. eigenvalues --    1.46087   1.48086   1.49160   1.50322   1.51691
 Alpha virt. eigenvalues --    1.52868   1.54842   1.55527   1.56566   1.57833
 Alpha virt. eigenvalues --    1.59938   1.60906   1.62296   1.62886   1.63809
 Alpha virt. eigenvalues --    1.65143   1.66742   1.68241   1.70324   1.70927
 Alpha virt. eigenvalues --    1.71923   1.72192   1.73029   1.74940   1.77658
 Alpha virt. eigenvalues --    1.77788   1.78657   1.79941   1.80398   1.81439
 Alpha virt. eigenvalues --    1.82955   1.85187   1.86598   1.87994   1.89359
 Alpha virt. eigenvalues --    1.90506   1.91102   1.91953   1.92016   1.93873
 Alpha virt. eigenvalues --    1.94900   1.95351   1.97333   1.98689   1.99246
 Alpha virt. eigenvalues --    1.99329   2.02212   2.03689   2.04016   2.06607
 Alpha virt. eigenvalues --    2.06736   2.07608   2.09282   2.11100   2.11775
 Alpha virt. eigenvalues --    2.12215   2.14080   2.14415   2.15458   2.17227
 Alpha virt. eigenvalues --    2.18068   2.18316   2.19571   2.22166   2.22523
 Alpha virt. eigenvalues --    2.23698   2.24471   2.25448   2.26253   2.26717
 Alpha virt. eigenvalues --    2.28489   2.29571   2.30773   2.31871   2.33300
 Alpha virt. eigenvalues --    2.35146   2.35362   2.37009   2.38438   2.39074
 Alpha virt. eigenvalues --    2.40934   2.41657   2.44528   2.45552   2.47114
 Alpha virt. eigenvalues --    2.48770   2.49194   2.50945   2.53065   2.53974
 Alpha virt. eigenvalues --    2.54590   2.55461   2.57742   2.59372   2.59588
 Alpha virt. eigenvalues --    2.61281   2.61477   2.63572   2.64378   2.68490
 Alpha virt. eigenvalues --    2.68731   2.70578   2.71229   2.74061   2.78230
 Alpha virt. eigenvalues --    2.79131   2.82381   2.83518   2.85550   2.87024
 Alpha virt. eigenvalues --    2.90909   2.92265   2.93161   2.99959   3.00316
 Alpha virt. eigenvalues --    3.03645   3.13155   3.16902   3.21457   3.24606
 Alpha virt. eigenvalues --    3.38080   3.43473   4.05833   4.10952   4.44301
 Alpha virt. eigenvalues --    4.74591
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.007557  -1.163943  -2.629901  -1.329154  -1.660426  -0.414138
     2  C   -1.163943   8.382453   0.567546  -0.368448  -0.485559   0.595140
     3  C   -2.629901   0.567546  14.681837  -4.063957  -4.989026   1.000395
     4  C   -1.329154  -0.368448  -4.063957  14.453750  -2.244355   0.359246
     5  C   -1.660426  -0.485559  -4.989026  -2.244355  23.242337  -4.608188
     6  C   -0.414138   0.595140   1.000395   0.359246  -4.608188  16.407223
     7  C    1.693916  -2.594917  -2.281770   0.261469   4.454755  -5.510679
     8  C   -1.762238   0.597040   1.436854  -0.410182  -5.205356   2.838045
     9  H   -1.439451   0.313927   1.017356  -0.423988   0.251206  -0.025751
    10  H    0.206442  -0.428703   0.105934   0.032356  -0.056882   0.253106
    11  H    0.240671  -0.492804   0.004318   0.003775  -0.050337  -0.158510
    12  H    0.143067   0.032071   0.222935  -0.497020   0.179462  -0.103244
    13  H   -0.007268  -0.044895   0.503583  -0.467672  -0.044099   0.085249
    14  H    0.103625   0.140962   1.234368  -0.382263  -3.703647   0.546498
    15  C   -0.276334  -0.190053  -0.467205  -0.180424   1.523213  -2.858279
    16  C    0.454115  -0.462089  -0.024392   0.177259  -0.820219  -2.325693
    17  H    0.004384   0.571219   0.134439  -0.053815  -0.586858   0.694287
    18  H   -0.161821  -0.001444   0.285536   0.043558   0.365766  -0.162982
    19  H    0.270236   0.056823   0.210529  -0.040458  -1.038764   0.478618
    20  H   -0.062075  -0.028600  -0.187740   0.165449  -0.529044   0.579755
    21  H    0.054608  -0.020397   0.239454  -0.109103  -0.170437   0.267738
    22  H   -0.053341   0.089561   0.047958  -0.036243   0.031054   0.169474
    23  H    0.053287  -0.009563  -0.048790   0.027378   0.102958   0.856187
    24  H   -0.045964   0.075346  -0.039858   0.009444   0.032465   0.059229
    25  H    0.019925  -0.054789   0.113776  -0.011467  -0.252367  -0.142227
    26  H    0.033708   0.107133  -0.291624  -0.045983   0.047971  -0.142147
               7          8          9         10         11         12
     1  C    1.693916  -1.762238  -1.439451   0.206442   0.240671   0.143067
     2  C   -2.594917   0.597040   0.313927  -0.428703  -0.492804   0.032071
     3  C   -2.281770   1.436854   1.017356   0.105934   0.004318   0.222935
     4  C    0.261469  -0.410182  -0.423988   0.032356   0.003775  -0.497020
     5  C    4.454755  -5.205356   0.251206  -0.056882  -0.050337   0.179462
     6  C   -5.510679   2.838045  -0.025751   0.253106  -0.158510  -0.103244
     7  C   17.874785  -5.824751  -0.226253   0.033070   0.261589   0.060105
     8  C   -5.824751  12.622041   0.152086  -0.037768   0.018919  -0.081693
     9  H   -0.226253   0.152086   2.807689   0.174633  -0.354437  -0.069501
    10  H    0.033070  -0.037768   0.174633   2.347024  -0.838467  -0.002636
    11  H    0.261589   0.018919  -0.354437  -0.838467   2.593690   0.007972
    12  H    0.060105  -0.081693  -0.069501  -0.002636   0.007972   2.197468
    13  H   -0.042566   0.121133   0.031479   0.005185  -0.010784  -0.600928
    14  H   -0.404482   0.975307   0.004418  -0.008436   0.007755   0.033538
    15  C    1.399615  -1.092508   0.062904   0.006127  -0.123547   0.065122
    16  C   -0.470666   0.287714  -0.044312   0.013418   0.030997   0.001556
    17  H   -3.206999   1.102010   0.002742  -0.100942   0.001878   0.000759
    18  H    0.446599  -1.052412  -0.012563   0.025574  -0.001884  -0.000595
    19  H   -1.117623   0.582698   0.053939  -0.053556   0.008976  -0.014379
    20  H   -0.302618   0.241390  -0.044726  -0.002693  -0.000043   0.007502
    21  H    0.037632   0.022760   0.008137  -0.006639   0.016020   0.006923
    22  H   -0.182596   0.009302   0.015293   0.014011  -0.032672  -0.000739
    23  H    0.145073  -0.318659  -0.000381  -0.001718   0.004019   0.001136
    24  H   -0.134536   0.058043  -0.002924   0.000262   0.021397   0.000959
    25  H   -0.039118   0.092217  -0.000326   0.004505  -0.014690  -0.003406
    26  H    0.082612  -0.049569  -0.818978  -0.389815   0.219915   0.029666
              13         14         15         16         17         18
     1  C   -0.007268   0.103625  -0.276334   0.454115   0.004384  -0.161821
     2  C   -0.044895   0.140962  -0.190053  -0.462089   0.571219  -0.001444
     3  C    0.503583   1.234368  -0.467205  -0.024392   0.134439   0.285536
     4  C   -0.467672  -0.382263  -0.180424   0.177259  -0.053815   0.043558
     5  C   -0.044099  -3.703647   1.523213  -0.820219  -0.586858   0.365766
     6  C    0.085249   0.546498  -2.858279  -2.325693   0.694287  -0.162982
     7  C   -0.042566  -0.404482   1.399615  -0.470666  -3.206999   0.446599
     8  C    0.121133   0.975307  -1.092508   0.287714   1.102010  -1.052412
     9  H    0.031479   0.004418   0.062904  -0.044312   0.002742  -0.012563
    10  H    0.005185  -0.008436   0.006127   0.013418  -0.100942   0.025574
    11  H   -0.010784   0.007755  -0.123547   0.030997   0.001878  -0.001884
    12  H   -0.600928   0.033538   0.065122   0.001556   0.000759  -0.000595
    13  H    2.158520  -0.045824  -0.040490   0.011224  -0.002989   0.007030
    14  H   -0.045824   3.661467  -0.262127  -0.016617   0.005074  -0.126972
    15  C   -0.040490  -0.262127   7.959548  -0.737043  -0.267065   0.199662
    16  C    0.011224  -0.016617  -0.737043   8.482145   0.066318  -0.046548
    17  H   -0.002989   0.005074  -0.267065   0.066318   3.369542  -0.114517
    18  H    0.007030  -0.126972   0.199662  -0.046548  -0.114517   2.988014
    19  H    0.013924   0.164237  -0.180517   0.046633   0.196132  -1.150772
    20  H   -0.002725  -0.007613  -0.009991   0.178611  -0.007273   0.040082
    21  H   -0.014828   0.048448  -0.115135  -0.293926   0.008819  -0.003579
    22  H    0.002654  -0.001789  -0.076568   0.061845   0.011436  -0.006591
    23  H   -0.000351  -0.032102  -0.173441  -0.391892  -0.049175  -0.076650
    24  H   -0.002506   0.025042   0.063435   0.046601  -0.021420   0.007851
    25  H    0.009113  -0.052727   0.166014   0.296191   0.016427   0.015445
    26  H   -0.009323   0.019432   0.036075   0.011000   0.005312   0.034506
              19         20         21         22         23         24
     1  C    0.270236  -0.062075   0.054608  -0.053341   0.053287  -0.045964
     2  C    0.056823  -0.028600  -0.020397   0.089561  -0.009563   0.075346
     3  C    0.210529  -0.187740   0.239454   0.047958  -0.048790  -0.039858
     4  C   -0.040458   0.165449  -0.109103  -0.036243   0.027378   0.009444
     5  C   -1.038764  -0.529044  -0.170437   0.031054   0.102958   0.032465
     6  C    0.478618   0.579755   0.267738   0.169474   0.856187   0.059229
     7  C   -1.117623  -0.302618   0.037632  -0.182596   0.145073  -0.134536
     8  C    0.582698   0.241390   0.022760   0.009302  -0.318659   0.058043
     9  H    0.053939  -0.044726   0.008137   0.015293  -0.000381  -0.002924
    10  H   -0.053556  -0.002693  -0.006639   0.014011  -0.001718   0.000262
    11  H    0.008976  -0.000043   0.016020  -0.032672   0.004019   0.021397
    12  H   -0.014379   0.007502   0.006923  -0.000739   0.001136   0.000959
    13  H    0.013924  -0.002725  -0.014828   0.002654  -0.000351  -0.002506
    14  H    0.164237  -0.007613   0.048448  -0.001789  -0.032102   0.025042
    15  C   -0.180517  -0.009991  -0.115135  -0.076568  -0.173441   0.063435
    16  C    0.046633   0.178611  -0.293926   0.061845  -0.391892   0.046601
    17  H    0.196132  -0.007273   0.008819   0.011436  -0.049175  -0.021420
    18  H   -1.150772   0.040082  -0.003579  -0.006591  -0.076650   0.007851
    19  H    3.180935  -0.018116   0.001737   0.003883  -0.002911   0.006687
    20  H   -0.018116   2.566797  -0.690164  -0.568053  -0.066653   0.023860
    21  H    0.001737  -0.690164   2.278087  -0.328833   0.027924   0.021076
    22  H    0.003883  -0.568053  -0.328833   1.951293   0.029114  -0.082835
    23  H   -0.002911  -0.066653   0.027924   0.029114   2.109453  -0.430946
    24  H    0.006687   0.023860   0.021076  -0.082835  -0.430946   1.993573
    25  H    0.005513   0.061245  -0.112595   0.021078  -0.462837  -0.514695
    26  H   -0.106695   0.027340   0.003958  -0.006296   0.002847  -0.002071
              25         26
     1  C    0.019925   0.033708
     2  C   -0.054789   0.107133
     3  C    0.113776  -0.291624
     4  C   -0.011467  -0.045983
     5  C   -0.252367   0.047971
     6  C   -0.142227  -0.142147
     7  C   -0.039118   0.082612
     8  C    0.092217  -0.049569
     9  H   -0.000326  -0.818978
    10  H    0.004505  -0.389815
    11  H   -0.014690   0.219915
    12  H   -0.003406   0.029666
    13  H    0.009113  -0.009323
    14  H   -0.052727   0.019432
    15  C    0.166014   0.036075
    16  C    0.296191   0.011000
    17  H    0.016427   0.005312
    18  H    0.015445   0.034506
    19  H    0.005513  -0.106695
    20  H    0.061245   0.027340
    21  H   -0.112595   0.003958
    22  H    0.021078  -0.006296
    23  H   -0.462837   0.002847
    24  H   -0.514695  -0.002071
    25  H    2.012894  -0.001659
    26  H   -0.001659   2.491377
 Mulliken charges:
               1
     1  C    0.720513
     2  C    0.816982
     3  C   -0.782558
     4  C    1.130849
     5  C    2.214377
     6  C   -2.738354
     7  C    1.588355
     8  C    0.677578
     9  H   -0.432219
    10  H   -0.293391
    11  H   -0.363713
    12  H   -0.616101
    13  H   -0.611847
    14  H   -0.925573
    15  C    1.569012
    16  C    1.467767
    17  H   -0.779726
    18  H   -0.540296
    19  H   -0.557708
    20  H   -0.363904
    21  H   -0.177685
    22  H   -0.081400
    23  H   -0.293309
    24  H   -0.167514
    25  H   -0.171442
    26  H   -0.288690
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.000396
     2  C    0.159877
     3  C   -0.782558
     4  C   -0.097100
     5  C    1.288804
     6  C   -2.738354
     7  C    0.808629
     8  C   -0.420427
    15  C    0.946022
    16  C    0.835503
 Electronic spatial extent (au):  <R**2>=           1337.3979
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4115    Y=              0.5494    Z=              0.1247  Tot=              0.6977
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.9462   YY=            -63.3880   ZZ=            -64.4892
   XY=              0.9688   XZ=              1.2746   YZ=              0.5292
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0051   YY=              0.5531   ZZ=             -0.5480
   XY=              0.9688   XZ=              1.2746   YZ=              0.5292
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.4771  YYY=             -0.5982  ZZZ=              0.9411  XYY=              0.5298
  XXY=              2.5614  XXZ=              4.5431  XZZ=             -3.0358  YZZ=              2.0834
  YYZ=             -3.0304  XYZ=             -0.9388
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -925.6353 YYYY=           -542.1441 ZZZZ=           -420.2272 XXXY=             -4.8538
 XXXZ=             12.7102 YYYX=              4.3121 YYYZ=              6.7163 ZZZX=              7.9088
 ZZZY=              1.7599 XXYY=           -244.1191 XXZZ=           -223.5549 YYZZ=           -165.2557
 XXYZ=             -4.0894 YYXZ=             -4.4799 ZZXY=              2.0853
 N-N= 5.710056832907D+02 E-N=-2.045636714419D+03  KE= 3.878661675146D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 22:27:23 2021, MaxMem= 17179869184 cpu:               4.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.68839324D-01 2.26576814D-01 4.73897661D-02
 Polarizability= 1.22600674D+02-6.80291573D+00 1.14486480D+02
                 7.23190235D-01 1.13236103D+00 9.98872265D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0037    0.0046       -3.9118   -3.9087
 2      0.0037   -0.0046       -0.5451   -0.5384       -4.0858   -4.1002
 3      3.9118    3.9087       11.8712   11.8741        0.5350    0.5384
 4      0.5451    0.5384       -0.0000    0.0000        3.9104    3.9087
 5     -7.7854   -7.7740       -3.9104   -3.9087        0.0053    0.0046
 6     -0.5350   -0.5384       -0.0053   -0.0046       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0138   -0.0138      -11.7261  -11.7261
 2      1.6153    1.6153        0.0000    0.0000      -11.7261  -11.7261
 3      1.6153    1.6153       -0.0138   -0.0138        0.0000    0.0000
 4     -0.0138   -0.0138       -1.6153   -1.6153      -12.3006  -12.3006
 5     11.7261   11.7261       35.6224   35.6224        1.6153    1.6153
 6    -23.3219  -23.3219      -11.7261  -11.7261        0.0138    0.0138
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1423    0.0000        0.2339   -0.0184       15.3326   15.6347
 2     -0.0428    0.0184        1.6483    2.1538       16.6839   16.4008
 3    -15.6771  -15.6347      -47.7492  -47.4966       -1.5662   -2.1538
 4     -1.6943   -2.1538       -0.1543    0.0000      -15.7525  -15.6347
 5     31.0350   31.0958       15.6027   15.6347        0.4023   -0.0184
 6      2.2549    2.1538        0.0499    0.0184       -0.1181    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0276    0.0000       13.3489   13.4877       -3.4653   -3.5808
 2    -13.0632  -13.4877      -17.3485  -16.5818        3.9746    3.4185
 3      4.0439    3.5808      -19.9667  -19.6577       15.9690   16.5818
 4     16.0805   16.5818        0.2475    0.0000        3.3068    3.5808
 5     15.7113   16.2392       -3.5499   -3.5808       12.9643   13.4877
 6    -16.1068  -16.5818      -13.5300  -13.4877        0.0322    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     51.8337   51.6409       73.3879   73.4259        9.8263   10.1814
 2     79.0502   79.4213       69.8927   70.0660        9.9578   10.1814
 3     79.0877   79.4213       73.5162   73.4259       12.5620   12.8869
 4      3.2371    3.3599      -27.9960  -27.7804        6.4020    5.6133
 5      2.5917    2.7055      -31.1243  -30.7502       27.4831   27.7804
 6     24.1539   25.1369       -2.3050   -2.7055       -4.0782   -3.3599
 Full mass-weighted force constant matrix:
 Low frequencies ---   -9.2943   -3.9471   -0.0006   -0.0005   -0.0004    4.7830
 Low frequencies ---  106.9149  166.5864  191.0365
 Diagonal vibrational polarizability:
        1.9906344       1.4717352       2.5217771
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.9137               166.5857               191.0343
 Red. masses --      2.6288                 1.8473                 1.3437
 Frc consts  --      0.0177                 0.0302                 0.0289
 IR Inten    --      0.0287                 0.1411                 0.0704
 RamAct Fr= 1--      3.4034                 1.1571                 0.6512
  Dep-P Fr= 1--      0.7247                 0.6305                 0.7261
  Dep-U Fr= 1--      0.8404                 0.7734                 0.8413
 Alpha2 Fr= 1--      0.0015                 0.0025                 0.0003
 Beta2  Fr= 1--      0.4767                 0.1492                 0.0913
 AlphaG Fr= 1--      0.0004                -0.0072                 0.0017
 Gamma2 Fr= 1--      0.7299                -0.2551                -0.1095
 Delta2 Fr= 1--     -0.3073                -0.0471                 0.0167
 Raman1 Fr= 1--      13.613                  4.629                  2.605
 ROA1   Fr= 1--      60.242                -25.994                 -9.983
 CID1   Fr= 1--       4.425                 -5.616                 -3.833
 Raman2 Fr= 1--       5.720                  1.790                  1.096
 ROA2   Fr= 1--      19.977                 -5.746                 -2.762
 CID2   Fr= 1--       3.492                 -3.210                 -2.521
 Raman3 Fr= 1--      11.441                  3.580                  2.191
 ROA3   Fr= 1--      60.242                -25.994                 -9.983
 CID3   Fr= 1--       5.266                 -7.261                 -4.556
 RC180  Fr= 1--       0.681                  0.547                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.17    -0.03  -0.06   0.12     0.01   0.02  -0.03
     2   6     0.03  -0.02   0.02    -0.02   0.06  -0.05     0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.01    -0.03  -0.01  -0.00     0.01   0.00   0.02
     4   6    -0.12  -0.07   0.24    -0.10  -0.06   0.02     0.05   0.04  -0.01
     5   6     0.01   0.05  -0.05    -0.00   0.05  -0.05    -0.01  -0.03   0.03
     6   6     0.02  -0.02  -0.02     0.03   0.02  -0.01    -0.02  -0.01   0.01
     7   6     0.00  -0.00   0.05    -0.02   0.03  -0.03     0.01  -0.01   0.00
     8   6    -0.04   0.07   0.02    -0.01   0.05  -0.02     0.01  -0.04   0.00
     9   1     0.22   0.19  -0.29    -0.21  -0.17   0.23     0.04   0.06  -0.05
    10   1    -0.02   0.01   0.11     0.04   0.03  -0.20    -0.00   0.01  -0.01
    11   1     0.12  -0.14   0.02    -0.06   0.23  -0.04     0.02   0.01  -0.01
    12   1    -0.17  -0.09   0.33    -0.14  -0.15   0.10     0.07   0.09  -0.05
    13   1    -0.18  -0.12   0.36    -0.12  -0.02  -0.05     0.08   0.02   0.01
    14   1     0.01   0.07  -0.08    -0.01   0.06  -0.06     0.00  -0.05   0.05
    15   6     0.06  -0.10  -0.06     0.14   0.00  -0.04    -0.03  -0.08  -0.02
    16   6     0.02  -0.01  -0.01     0.03  -0.06   0.04    -0.04   0.09   0.01
    17   1    -0.00  -0.02   0.11    -0.03   0.01  -0.02     0.02  -0.00  -0.02
    18   1    -0.07   0.07   0.05    -0.00   0.05  -0.03     0.01  -0.04   0.01
    19   1    -0.08   0.11   0.00    -0.01   0.07  -0.00     0.01  -0.06  -0.01
    20   1     0.04  -0.07  -0.04     0.05   0.30   0.05    -0.15   0.19   0.15
    21   1     0.13  -0.11  -0.15     0.50  -0.04  -0.12     0.33  -0.13  -0.19
    22   1     0.02  -0.20  -0.04    -0.05  -0.29  -0.06    -0.27  -0.41  -0.08
    23   1    -0.01   0.04   0.02     0.02  -0.16   0.00     0.10  -0.15  -0.12
    24   1     0.03  -0.06   0.03     0.03  -0.00   0.01    -0.02   0.44  -0.14
    25   1     0.03  -0.01  -0.07     0.06  -0.07   0.15    -0.24   0.10   0.32
    26   1    -0.17   0.09  -0.32     0.16  -0.09   0.25    -0.03   0.01  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    210.9931               231.2244               297.7815
 Red. masses --      1.8294                 1.2403                 1.8681
 Frc consts  --      0.0480                 0.0391                 0.0976
 IR Inten    --      0.0066                 0.0742                 0.0695
 RamAct Fr= 1--      0.2751                 0.3093                 0.4353
  Dep-P Fr= 1--      0.5399                 0.4982                 0.5160
  Dep-U Fr= 1--      0.7012                 0.6651                 0.6808
 Alpha2 Fr= 1--      0.0011                 0.0015                 0.0020
 Beta2  Fr= 1--      0.0322                 0.0343                 0.0494
 AlphaG Fr= 1--      0.0012                 0.0123                -0.0091
 Gamma2 Fr= 1--     -0.2867                 0.1094                 0.0351
 Delta2 Fr= 1--     -0.2157                -0.0868                 0.2057
 Raman1 Fr= 1--       1.100                  1.237                  1.741
 ROA1   Fr= 1--     -34.429                  7.724                  9.955
 CID1   Fr= 1--     -31.289                  6.244                  5.717
 Raman2 Fr= 1--       0.386                  0.411                  0.593
 ROA2   Fr= 1--      -5.156                  3.319                 -0.802
 CID2   Fr= 1--     -13.364                  8.069                 -1.353
 Raman3 Fr= 1--       0.772                  0.823                  1.185
 ROA3   Fr= 1--     -34.429                  7.724                  9.955
 CID3   Fr= 1--     -44.620                  9.388                  8.398
 RC180  Fr= 1--       0.402                  0.330                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05    -0.03  -0.00   0.03    -0.05  -0.01  -0.02
     2   6    -0.04   0.03  -0.03    -0.04  -0.03   0.03    -0.07  -0.12   0.13
     3   6    -0.01   0.00   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.00
     4   6     0.04   0.04   0.05    -0.00   0.00   0.03     0.02  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02     0.01   0.00  -0.05    -0.00  -0.01  -0.02
     6   6     0.00  -0.01  -0.02     0.02  -0.02  -0.03    -0.01   0.04  -0.04
     7   6     0.01  -0.01  -0.05    -0.01  -0.02  -0.02     0.01   0.02  -0.06
     8   6     0.02  -0.05  -0.04     0.01   0.01  -0.02     0.07  -0.01  -0.04
     9   1    -0.10  -0.02   0.09    -0.04  -0.02   0.03     0.10   0.06  -0.13
    10   1    -0.03   0.02  -0.05    -0.04  -0.02   0.10    -0.05  -0.08   0.44
    11   1    -0.08   0.06  -0.03    -0.08  -0.09   0.02    -0.15  -0.40   0.08
    12   1     0.02   0.09   0.08    -0.03   0.01   0.09     0.02   0.03  -0.00
    13   1     0.10   0.02   0.05     0.02   0.00   0.02     0.06  -0.01  -0.02
    14   1     0.03  -0.06   0.00     0.03   0.02  -0.07    -0.02  -0.02  -0.02
    15   6     0.08  -0.10  -0.07     0.07   0.01  -0.02     0.06   0.13  -0.01
    16   6    -0.07   0.14   0.09    -0.02   0.02   0.04    -0.03  -0.01   0.05
    17   1    -0.01  -0.03  -0.09    -0.03  -0.04  -0.02     0.02   0.05  -0.12
    18   1     0.02  -0.06  -0.05     0.00   0.03  -0.02     0.08   0.01  -0.06
    19   1     0.03  -0.07  -0.05     0.00   0.03  -0.01     0.10  -0.05  -0.04
    20   1     0.14  -0.23  -0.16     0.18  -0.24  -0.20    -0.02   0.40   0.06
    21   1    -0.03  -0.08  -0.13    -0.24   0.05   0.08     0.37   0.09   0.00
    22   1     0.19  -0.09   0.04     0.29   0.26   0.06    -0.10  -0.05  -0.07
    23   1    -0.25   0.50   0.28     0.10  -0.31  -0.12    -0.13   0.06   0.10
    24   1     0.07  -0.10   0.37     0.02   0.43  -0.13     0.01  -0.11   0.15
    25   1    -0.11   0.16  -0.28    -0.21   0.02   0.45     0.03  -0.01  -0.02
    26   1     0.03  -0.01   0.09    -0.03   0.03   0.05    -0.23   0.06  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    359.1272               385.1849               394.2225
 Red. masses --      2.2799                 2.4473                 2.3202
 Frc consts  --      0.1732                 0.2139                 0.2125
 IR Inten    --      1.0175                 0.1708                 0.8245
 RamAct Fr= 1--      2.5214                 1.7002                 0.8003
  Dep-P Fr= 1--      0.4703                 0.4842                 0.6940
  Dep-U Fr= 1--      0.6398                 0.6524                 0.8194
 Alpha2 Fr= 1--      0.0142                 0.0090                 0.0008
 Beta2  Fr= 1--      0.2688                 0.1849                 0.1093
 AlphaG Fr= 1--      0.0117                 0.0043                 0.0038
 Gamma2 Fr= 1--      1.1863                -0.2494                -0.4750
 Delta2 Fr= 1--      0.4051                -0.0125                -0.2299
 Raman1 Fr= 1--      10.086                  6.801                  3.201
 ROA1   Fr= 1--     126.845                -24.340                -52.955
 CID1   Fr= 1--      12.577                 -3.579                -16.542
 Raman2 Fr= 1--       3.226                  2.219                  1.312
 ROA2   Fr= 1--      25.229                 -5.885                 -9.561
 CID2   Fr= 1--       7.820                 -2.653                 -7.290
 Raman3 Fr= 1--       6.452                  4.437                  2.623
 ROA3   Fr= 1--     126.845                -24.340                -52.955
 CID3   Fr= 1--      19.659                 -5.486                -20.188
 RC180  Fr= 1--       0.280                  0.305                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.00     0.08   0.04   0.04     0.03   0.09   0.04
     2   6     0.04  -0.06  -0.03     0.06   0.01   0.01    -0.07  -0.02   0.01
     3   6     0.04  -0.03  -0.10     0.03   0.06   0.02     0.10   0.09  -0.03
     4   6     0.13   0.04   0.10    -0.03   0.01  -0.01    -0.11  -0.07  -0.05
     5   6     0.02   0.03  -0.13     0.03   0.05  -0.01     0.11   0.01  -0.04
     6   6     0.01  -0.04  -0.05    -0.03   0.04  -0.04     0.09  -0.09  -0.01
     7   6    -0.01  -0.05   0.04     0.06   0.06  -0.07    -0.01  -0.10  -0.01
     8   6    -0.09   0.08   0.01     0.05   0.01  -0.06    -0.04  -0.04  -0.04
     9   1    -0.08  -0.21   0.06     0.05   0.01   0.06    -0.01   0.08   0.08
    10   1     0.04  -0.08  -0.13     0.06   0.02   0.11    -0.16   0.01   0.05
    11   1     0.09   0.04  -0.02    -0.01  -0.09  -0.01    -0.10  -0.07  -0.00
    12   1     0.03   0.23   0.29    -0.02  -0.08  -0.05    -0.10  -0.37  -0.05
    13   1     0.37  -0.05   0.13    -0.13   0.04  -0.02    -0.37   0.04  -0.11
    14   1     0.01   0.09  -0.20     0.09   0.03   0.00     0.21  -0.01  -0.04
    15   6    -0.08   0.07   0.01    -0.15  -0.06  -0.07    -0.06   0.02   0.07
    16   6    -0.05   0.01   0.05    -0.07  -0.14   0.17     0.04   0.09   0.03
    17   1    -0.01  -0.07   0.16     0.11   0.12  -0.11    -0.08  -0.19   0.03
    18   1    -0.14   0.06   0.07     0.01  -0.03  -0.02    -0.06  -0.12  -0.00
    19   1    -0.17   0.18  -0.01     0.04  -0.02  -0.13    -0.11   0.03  -0.06
    20   1    -0.16   0.23   0.15    -0.17  -0.21   0.05    -0.14   0.13   0.24
    21   1     0.02   0.06   0.14    -0.27  -0.04  -0.21    -0.00   0.01   0.18
    22   1    -0.23   0.10  -0.15    -0.18  -0.07  -0.10    -0.22   0.08  -0.12
    23   1    -0.16   0.06   0.10    -0.32  -0.30   0.16     0.02   0.22   0.09
    24   1     0.05   0.01   0.16     0.02  -0.17   0.28     0.17   0.16   0.13
    25   1    -0.10   0.01   0.03     0.08  -0.16   0.35    -0.15   0.11  -0.06
    26   1     0.15  -0.07   0.12     0.12   0.05   0.07     0.04   0.17   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    420.0343               456.1624               480.2945
 Red. masses --      2.1714                 2.9831                 3.2389
 Frc consts  --      0.2257                 0.3657                 0.4402
 IR Inten    --      0.7982                 0.6548                 0.2993
 RamAct Fr= 1--      1.0513                 1.4878                 6.9418
  Dep-P Fr= 1--      0.4186                 0.4975                 0.3725
  Dep-U Fr= 1--      0.5901                 0.6644                 0.5428
 Alpha2 Fr= 1--      0.0073                 0.0074                 0.0566
 Beta2  Fr= 1--      0.1034                 0.1648                 0.6280
 AlphaG Fr= 1--     -0.0194                -0.0076                -0.0341
 Gamma2 Fr= 1--     -0.2926                -0.6952                 0.7567
 Delta2 Fr= 1--      0.0319                -0.3086                 0.5138
 Raman1 Fr= 1--       4.205                  5.951                 27.767
 ROA1   Fr= 1--     -27.066                -76.616                 89.091
 CID1   Fr= 1--      -6.436                -12.874                  3.209
 Raman2 Fr= 1--       1.241                  1.977                  7.536
 ROA2   Fr= 1--      -7.277                -14.217                 14.051
 CID2   Fr= 1--      -5.865                 -7.191                  1.865
 Raman3 Fr= 1--       2.482                  3.954                 15.071
 ROA3   Fr= 1--     -27.066                -76.616                 89.091
 CID3   Fr= 1--     -10.907                -19.376                  5.911
 RC180  Fr= 1--       0.180                  0.329                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.07    -0.15  -0.04  -0.05     0.04   0.04   0.01
     2   6    -0.06   0.05  -0.06    -0.06   0.04   0.01     0.10   0.02   0.05
     3   6     0.01  -0.06   0.04    -0.08  -0.04  -0.11    -0.12   0.14  -0.11
     4   6     0.02  -0.06  -0.03    -0.01   0.03   0.01    -0.14   0.16   0.02
     5   6     0.04   0.01  -0.02    -0.04  -0.02  -0.07    -0.11  -0.08  -0.07
     6   6    -0.02  -0.06  -0.03     0.14   0.04   0.08    -0.03  -0.11  -0.01
     7   6    -0.07  -0.05   0.03     0.03   0.05  -0.04     0.12  -0.10   0.04
     8   6     0.18   0.10   0.09     0.07   0.02  -0.05     0.13  -0.06  -0.00
     9   1     0.03   0.17  -0.10    -0.14  -0.10  -0.07    -0.07  -0.25   0.04
    10   1    -0.10   0.03  -0.29     0.03   0.04   0.09    -0.01   0.03  -0.02
    11   1     0.06   0.24  -0.02    -0.11  -0.03  -0.01     0.14   0.06   0.06
    12   1     0.05  -0.09  -0.09    -0.09   0.15   0.17    -0.14   0.27   0.02
    13   1    -0.02  -0.03  -0.07     0.18  -0.02  -0.01    -0.12   0.08   0.16
    14   1     0.05   0.10  -0.14    -0.18  -0.02  -0.03    -0.02  -0.10  -0.06
    15   6    -0.02   0.00   0.00    -0.09  -0.09   0.10     0.02   0.01   0.05
    16   6    -0.07  -0.03   0.06     0.21   0.03   0.08    -0.06  -0.04  -0.03
    17   1    -0.11  -0.10  -0.00    -0.04  -0.02  -0.10     0.12  -0.09  -0.02
    18   1     0.37   0.23  -0.14     0.12   0.16  -0.11     0.18   0.26  -0.07
    19   1     0.32   0.14   0.40     0.17  -0.06   0.05     0.33  -0.24   0.14
    20   1    -0.03   0.06   0.00    -0.16  -0.27   0.35     0.01   0.17   0.01
    21   1    -0.01  -0.00   0.10    -0.24  -0.06  -0.07     0.11  -0.01   0.25
    22   1    -0.03   0.07  -0.04    -0.22  -0.09  -0.03     0.00   0.09  -0.01
    23   1    -0.12   0.01   0.09     0.24   0.02   0.07     0.01   0.01  -0.03
    24   1     0.02   0.01   0.14     0.18   0.01   0.05    -0.08  -0.04  -0.05
    25   1    -0.14  -0.02   0.07     0.25   0.03   0.08    -0.10  -0.03  -0.09
    26   1    -0.12  -0.03  -0.17    -0.14  -0.03  -0.03     0.21   0.09   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    534.0723               616.0103               649.6223
 Red. masses --      2.3221                 3.4550                 2.7700
 Frc consts  --      0.3902                 0.7725                 0.6887
 IR Inten    --      3.2799                 2.6774                 0.7256
 RamAct Fr= 1--      1.5162                 1.7206                25.0602
  Dep-P Fr= 1--      0.3787                 0.7161                 0.0065
  Dep-U Fr= 1--      0.5494                 0.8346                 0.0128
 Alpha2 Fr= 1--      0.0121                 0.0010                 0.5486
 Beta2  Fr= 1--      0.1388                 0.2393                 0.0536
 AlphaG Fr= 1--     -0.0387                -0.0150                 0.3197
 Gamma2 Fr= 1--      0.6782                -1.4981                -0.4122
 Delta2 Fr= 1--      0.5054                -0.8432                -0.1988
 Raman1 Fr= 1--       6.065                  6.882                100.241
 ROA1   Fr= 1--      81.277               -170.801                -45.930
 CID1   Fr= 1--      13.401                -24.817                 -0.458
 Raman2 Fr= 1--       1.666                  2.872                  0.643
 ROA2   Fr= 1--      12.232                -29.210                 -8.302
 CID2   Fr= 1--       7.343                -10.171                -12.918
 Raman3 Fr= 1--       3.332                  5.744                  1.285
 ROA3   Fr= 1--      81.277               -170.801                -45.930
 CID3   Fr= 1--      24.394                -29.736                -35.734
 RC180  Fr= 1--       0.099                  0.669                 -0.974
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.03     0.06  -0.06   0.02    -0.05   0.03   0.03
     2   6     0.06   0.10   0.07     0.05  -0.15  -0.13     0.01   0.14   0.09
     3   6    -0.12  -0.05   0.16    -0.10   0.02   0.21     0.08  -0.03  -0.09
     4   6    -0.02   0.03  -0.03    -0.04   0.11  -0.01     0.06  -0.08  -0.01
     5   6     0.01  -0.04  -0.07     0.01   0.13  -0.02     0.04   0.02  -0.11
     6   6     0.07  -0.06  -0.09    -0.02  -0.06   0.05    -0.06  -0.03   0.06
     7   6     0.10  -0.03   0.06    -0.01  -0.04  -0.12     0.08   0.09  -0.03
     8   6    -0.04  -0.03   0.00    -0.01   0.11  -0.13     0.02  -0.01  -0.04
     9   1     0.22   0.18  -0.16     0.17   0.13  -0.02     0.09   0.08  -0.07
    10   1     0.08   0.07  -0.10     0.05  -0.13   0.00     0.09   0.12   0.08
    11   1     0.07   0.26   0.10    -0.04  -0.25  -0.16    -0.07   0.15   0.08
    12   1    -0.06  -0.01   0.04    -0.09   0.08   0.08    -0.11  -0.25   0.33
    13   1     0.11   0.15  -0.32     0.11   0.25  -0.33     0.17   0.01  -0.25
    14   1     0.10  -0.03  -0.11     0.16   0.13  -0.05     0.03   0.06  -0.18
    15   6    -0.01   0.04  -0.08     0.03  -0.08   0.17     0.02  -0.08   0.17
    16   6     0.04  -0.00   0.01    -0.02   0.00  -0.01    -0.16  -0.04  -0.06
    17   1     0.04  -0.10   0.07     0.07   0.03   0.02     0.08   0.13  -0.20
    18   1    -0.21  -0.06   0.21     0.07   0.06  -0.22    -0.10  -0.01   0.10
    19   1    -0.16  -0.02  -0.21    -0.00   0.19  -0.00    -0.05  -0.04  -0.22
    20   1    -0.06   0.09   0.00     0.03  -0.07   0.19     0.05  -0.03   0.08
    21   1    -0.04   0.03   0.07     0.04  -0.08   0.20     0.06  -0.09   0.20
    22   1    -0.08   0.17  -0.22     0.03  -0.07   0.17     0.07  -0.10   0.24
    23   1    -0.07  -0.03   0.02     0.12   0.09  -0.01    -0.05  -0.01  -0.07
    24   1     0.12   0.01   0.09    -0.05   0.04  -0.07    -0.24  -0.06  -0.14
    25   1     0.02  -0.00   0.05    -0.12   0.02  -0.10    -0.16  -0.04  -0.12
    26   1    -0.32  -0.15  -0.28    -0.04  -0.23  -0.20    -0.17   0.06  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    734.4905               777.6637               799.5220
 Red. masses --      1.4072                 2.2336                 1.5741
 Frc consts  --      0.4473                 0.7959                 0.5928
 IR Inten    --      0.4474                 2.1128                 0.3752
 RamAct Fr= 1--      4.4429                 5.9104                 1.8186
  Dep-P Fr= 1--      0.2261                 0.1034                 0.6864
  Dep-U Fr= 1--      0.3688                 0.1875                 0.8140
 Alpha2 Fr= 1--      0.0562                 0.1026                 0.0020
 Beta2  Fr= 1--      0.2731                 0.1847                 0.2467
 AlphaG Fr= 1--     -0.5063                 0.5097                -0.0829
 Gamma2 Fr= 1--     -0.4842                 0.5753                 0.1156
 Delta2 Fr= 1--      0.4642                 0.9795                 1.7410
 Raman1 Fr= 1--      17.771                 23.642                  7.274
 ROA1   Fr= 1--     -31.633                 86.572                 66.809
 CID1   Fr= 1--      -1.780                  3.662                  9.184
 Raman2 Fr= 1--       3.277                  2.216                  2.961
 ROA2   Fr= 1--     -15.335                  5.971                -11.153
 CID2   Fr= 1--      -4.679                  2.694                 -3.767
 Raman3 Fr= 1--       6.555                  4.433                  5.922
 ROA3   Fr= 1--     -31.633                 86.572                 66.809
 CID3   Fr= 1--      -4.826                 19.531                 11.282
 RC180  Fr= 1--      -0.262                 -0.625                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01    -0.13  -0.11  -0.06     0.01   0.02  -0.08
     2   6     0.00  -0.06  -0.02    -0.01  -0.06  -0.03     0.03   0.07  -0.05
     3   6     0.03   0.06  -0.05    -0.02   0.06  -0.03    -0.04  -0.03   0.03
     4   6    -0.02   0.04   0.00    -0.06   0.08  -0.00    -0.01  -0.00   0.00
     5   6     0.03   0.01   0.02     0.16   0.07   0.02     0.02  -0.02   0.02
     6   6    -0.03   0.06   0.03    -0.00   0.01   0.00     0.03  -0.07  -0.03
     7   6    -0.03  -0.04   0.03     0.03   0.05  -0.00    -0.05   0.10  -0.02
     8   6     0.02  -0.07   0.04     0.09  -0.06   0.11    -0.01  -0.03   0.11
     9   1     0.08  -0.00  -0.07    -0.13  -0.17  -0.07    -0.28  -0.11   0.13
    10   1    -0.01  -0.08  -0.15     0.14  -0.11  -0.15     0.03   0.15   0.45
    11   1     0.06   0.07   0.00     0.03   0.08  -0.01     0.07  -0.42  -0.09
    12   1    -0.31  -0.22   0.56     0.04   0.18  -0.22    -0.10  -0.04   0.16
    13   1     0.18   0.25  -0.49    -0.24  -0.01   0.27     0.15   0.11  -0.27
    14   1     0.02  -0.04   0.09     0.25   0.17  -0.13     0.03   0.02  -0.04
    15   6    -0.02   0.04  -0.04     0.00  -0.01   0.03     0.01  -0.01  -0.02
    16   6     0.01   0.01   0.01    -0.03  -0.00  -0.02    -0.00  -0.02  -0.01
    17   1     0.01   0.01   0.03     0.08   0.13  -0.14    -0.09   0.06  -0.09
    18   1     0.08  -0.06  -0.03    -0.07  -0.43   0.32     0.04  -0.11   0.05
    19   1     0.06  -0.08   0.11    -0.18   0.08  -0.21    -0.02  -0.01   0.11
    20   1     0.01  -0.02  -0.10     0.01  -0.02   0.02    -0.02   0.05   0.03
    21   1    -0.00   0.04  -0.17     0.01  -0.01   0.01     0.01  -0.02   0.13
    22   1     0.03  -0.06   0.05     0.02  -0.03   0.05    -0.03   0.10  -0.11
    23   1    -0.00  -0.02  -0.00    -0.08  -0.00  -0.00    -0.03   0.04   0.02
    24   1    -0.03  -0.03  -0.00     0.01   0.02   0.01     0.10   0.07   0.05
    25   1     0.09   0.00   0.03    -0.07  -0.00   0.00    -0.15  -0.00  -0.02
    26   1    -0.07  -0.01  -0.05    -0.13  -0.06  -0.02     0.35  -0.13   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    833.8524               864.3223               892.7482
 Red. masses --      2.2210                 2.3719                 2.1851
 Frc consts  --      0.9099                 1.0440                 1.0261
 IR Inten    --      0.3716                 5.0505                 0.7622
 RamAct Fr= 1--      3.0848                12.2670                 3.7044
  Dep-P Fr= 1--      0.3223                 0.5087                 0.2770
  Dep-U Fr= 1--      0.4875                 0.6744                 0.4338
 Alpha2 Fr= 1--      0.0296                 0.0581                 0.0407
 Beta2  Fr= 1--      0.2506                 1.3787                 0.2678
 AlphaG Fr= 1--     -0.0026                -0.4085                 0.0182
 Gamma2 Fr= 1--     -0.2493                -3.0796                 1.9485
 Delta2 Fr= 1--     -0.1971                -1.5071                 0.5053
 Raman1 Fr= 1--      12.339                 49.068                 14.818
 ROA1   Fr= 1--     -30.242               -343.867                203.225
 CID1   Fr= 1--      -2.451                 -7.008                 13.715
 Raman2 Fr= 1--       3.008                 16.545                  3.214
 ROA2   Fr= 1--      -4.407                -61.853                 42.722
 CID2   Fr= 1--      -1.465                 -3.739                 13.293
 Raman3 Fr= 1--       6.015                 33.089                  6.428
 ROA3   Fr= 1--     -30.242               -343.867                203.225
 CID3   Fr= 1--      -5.028                -10.392                 31.618
 RC180  Fr= 1--      -0.025                  0.349                 -0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11  -0.01    -0.11  -0.01   0.02     0.15  -0.00   0.09
     2   6    -0.04  -0.06  -0.11    -0.00  -0.07  -0.07    -0.05  -0.02  -0.01
     3   6    -0.02  -0.03   0.06     0.08   0.05  -0.03    -0.02  -0.01  -0.02
     4   6     0.01  -0.03   0.01     0.04   0.02  -0.01    -0.01   0.00  -0.04
     5   6    -0.00  -0.06  -0.10    -0.08  -0.05   0.16    -0.06   0.02  -0.05
     6   6    -0.04   0.07   0.04     0.06  -0.08  -0.04    -0.05  -0.06   0.00
     7   6     0.16  -0.10  -0.00     0.13   0.06  -0.06    -0.01   0.04  -0.13
     8   6     0.01   0.03   0.11    -0.03   0.12   0.04    -0.02  -0.05   0.17
     9   1    -0.29   0.13   0.18    -0.05   0.11  -0.01     0.38   0.14  -0.07
    10   1    -0.27   0.01   0.03     0.12  -0.10  -0.11    -0.02  -0.04  -0.11
    11   1    -0.06  -0.23  -0.13    -0.14   0.02  -0.09    -0.25   0.13  -0.04
    12   1     0.07  -0.08  -0.09    -0.08  -0.28   0.24    -0.11   0.15   0.14
    13   1     0.01   0.05  -0.12    -0.17   0.06   0.03     0.09  -0.14   0.17
    14   1    -0.01   0.00  -0.20    -0.14  -0.18   0.33    -0.04   0.17  -0.26
    15   6    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.02  -0.01  -0.02
    16   6    -0.00   0.04   0.02    -0.02  -0.04  -0.03     0.09   0.00   0.04
    17   1     0.22  -0.02  -0.05     0.21   0.15  -0.05     0.08   0.20  -0.43
    18   1    -0.20   0.17   0.36    -0.15   0.35   0.17    -0.04   0.03   0.20
    19   1    -0.11   0.10  -0.04     0.01   0.02  -0.00    -0.04  -0.04   0.15
    20   1     0.02  -0.05  -0.04    -0.02   0.06   0.03    -0.01   0.06  -0.09
    21   1     0.01   0.04  -0.17    -0.00  -0.04   0.19     0.01  -0.02   0.06
    22   1     0.03  -0.12   0.14    -0.03   0.13  -0.16     0.01   0.03  -0.03
    23   1     0.04  -0.09  -0.04    -0.10   0.03   0.01     0.19   0.09   0.05
    24   1    -0.19  -0.14  -0.09     0.14   0.07   0.08     0.09   0.07   0.00
    25   1     0.27   0.01   0.03    -0.20  -0.02  -0.02    -0.03   0.02  -0.04
    26   1     0.17   0.04   0.10    -0.20   0.07   0.01    -0.14   0.07  -0.10
                     22                     23                     24
                      A                      A                      A
 Frequencies --    909.6935               919.4357               941.1284
 Red. masses --      1.4301                 1.8501                 2.0311
 Frc consts  --      0.6973                 0.9215                 1.0599
 IR Inten    --     35.2518                 5.6351                 1.6390
 RamAct Fr= 1--      9.7753                 1.7683                 6.1943
  Dep-P Fr= 1--      0.6899                 0.4850                 0.4924
  Dep-U Fr= 1--      0.8165                 0.6532                 0.6599
 Alpha2 Fr= 1--      0.0103                 0.0093                 0.0317
 Beta2  Fr= 1--      1.3302                 0.1925                 0.6813
 AlphaG Fr= 1--     -0.0794                -0.1063                 0.0833
 Gamma2 Fr= 1--     -0.2038                 0.1707                 4.7971
 Delta2 Fr= 1--      0.2720                -0.5277                 2.3264
 Raman1 Fr= 1--      39.101                  7.073                 24.777
 ROA1   Fr= 1--     -10.860                 -0.501                534.962
 CID1   Fr= 1--      -0.278                 -0.071                 21.591
 Raman2 Fr= 1--      15.962                  2.310                  8.175
 ROA2   Fr= 1--      -7.067                  8.318                 96.519
 CID2   Fr= 1--      -0.443                  3.601                 11.807
 Raman3 Fr= 1--      31.925                  4.620                 16.350
 ROA3   Fr= 1--     -10.860                 -0.501                534.962
 CID3   Fr= 1--      -0.340                 -0.108                 32.719
 RC180  Fr= 1--       0.633                  0.306                  0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.00     0.04   0.06  -0.02    -0.08   0.05   0.01
     2   6     0.03   0.02  -0.01    -0.06  -0.00  -0.00     0.03  -0.08  -0.05
     3   6    -0.02  -0.01   0.06    -0.06  -0.06  -0.01     0.04   0.01   0.03
     4   6     0.08   0.07  -0.12    -0.01  -0.04  -0.09     0.05  -0.02   0.03
     5   6     0.02  -0.03  -0.05    -0.03   0.13   0.11    -0.09   0.13  -0.06
     6   6    -0.01   0.02   0.01     0.02  -0.01  -0.01    -0.05  -0.05   0.01
     7   6    -0.02   0.00   0.02     0.05  -0.06   0.04    -0.01   0.08   0.09
     8   6    -0.02  -0.02  -0.01     0.10   0.02  -0.05     0.02  -0.10  -0.03
     9   1    -0.04   0.04   0.03    -0.08   0.02   0.07    -0.17   0.20   0.11
    10   1     0.06   0.03   0.11    -0.28   0.03  -0.06     0.07  -0.09  -0.07
    11   1     0.05  -0.10  -0.02    -0.00   0.00   0.01     0.13  -0.03  -0.03
    12   1    -0.23  -0.28   0.47    -0.26   0.19   0.39     0.12  -0.18  -0.10
    13   1    -0.38  -0.19   0.57     0.27  -0.26   0.17    -0.09   0.05  -0.03
    14   1     0.09  -0.02  -0.09    -0.16   0.15   0.12    -0.11   0.28  -0.26
    15   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.04  -0.04
    16   6    -0.01   0.01   0.01    -0.00  -0.01  -0.02     0.05   0.01   0.04
    17   1    -0.04  -0.03   0.07     0.03  -0.09   0.07     0.11   0.20   0.20
    18   1     0.05   0.03  -0.10    -0.09  -0.27   0.19     0.07  -0.07  -0.09
    19   1     0.02   0.01   0.10    -0.06  -0.02  -0.38     0.19  -0.43  -0.14
    20   1     0.00  -0.01  -0.00    -0.01   0.03   0.01    -0.03   0.17  -0.10
    21   1     0.00   0.01  -0.04    -0.00  -0.02   0.08     0.04  -0.06   0.27
    22   1     0.01  -0.03   0.04    -0.01   0.05  -0.06     0.01   0.16  -0.13
    23   1     0.02  -0.02  -0.01    -0.09  -0.01  -0.00     0.18   0.04   0.03
    24   1    -0.07  -0.04  -0.03     0.07   0.03   0.04    -0.02   0.01  -0.04
    25   1     0.07   0.00   0.00    -0.05  -0.00   0.02     0.05   0.01  -0.02
    26   1     0.01  -0.09  -0.03     0.14   0.04   0.05    -0.05   0.08   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --    956.9516               970.4257               992.5283
 Red. masses --      1.5056                 1.9395                 1.6957
 Frc consts  --      0.8124                 1.0761                 0.9842
 IR Inten    --      0.9269                 1.0595                 0.3031
 RamAct Fr= 1--      3.8410                 3.5982                 1.0016
  Dep-P Fr= 1--      0.6596                 0.7424                 0.4869
  Dep-U Fr= 1--      0.7949                 0.8522                 0.6549
 Alpha2 Fr= 1--      0.0062                 0.0005                 0.0053
 Beta2  Fr= 1--      0.5089                 0.5111                 0.1093
 AlphaG Fr= 1--      0.0260                 0.0058                 0.0435
 Gamma2 Fr= 1--      0.5454                -2.8275                 0.2408
 Delta2 Fr= 1--     -0.1354                -2.1344                -0.0363
 Raman1 Fr= 1--      15.364                 14.393                  4.006
 ROA1   Fr= 1--      48.028               -339.742                 21.953
 CID1   Fr= 1--       3.126                -23.605                  5.480
 Raman2 Fr= 1--       6.107                  6.133                  1.312
 ROA2   Fr= 1--      14.173                -50.785                  6.069
 CID2   Fr= 1--       2.321                 -8.281                  4.626
 Raman3 Fr= 1--      12.213                 12.265                  2.624
 ROA3   Fr= 1--      48.028               -339.742                 21.953
 CID3   Fr= 1--       3.933                -27.699                  8.367
 RC180  Fr= 1--       0.590                  0.704                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03    -0.04  -0.03  -0.05    -0.08   0.03   0.10
     2   6    -0.00  -0.01  -0.03     0.02   0.06   0.04     0.08   0.04  -0.07
     3   6     0.00  -0.00  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.07
     4   6    -0.01  -0.01  -0.00     0.02   0.00   0.01    -0.06  -0.05  -0.03
     5   6    -0.01   0.03  -0.01     0.03   0.02   0.05     0.06   0.03   0.04
     6   6     0.09   0.02   0.05    -0.08  -0.09   0.10    -0.00  -0.02   0.04
     7   6     0.01   0.00   0.01     0.03  -0.06  -0.04     0.07  -0.03  -0.01
     8   6    -0.01  -0.04   0.03     0.01   0.06  -0.06    -0.05  -0.02   0.00
     9   1     0.05   0.09   0.01    -0.09  -0.16  -0.04     0.06   0.26   0.03
    10   1     0.01  -0.01   0.00     0.01   0.06   0.08     0.14   0.07   0.23
    11   1    -0.06  -0.03  -0.04     0.05  -0.01   0.04    -0.17  -0.20  -0.14
    12   1     0.00   0.06  -0.03     0.01  -0.08   0.01    -0.06   0.35  -0.03
    13   1     0.03  -0.04   0.03    -0.05   0.04  -0.03     0.26  -0.20   0.09
    14   1    -0.05   0.06  -0.04     0.10   0.01   0.04     0.12   0.04   0.01
    15   6     0.10   0.05  -0.04    -0.05   0.04  -0.10    -0.04   0.00  -0.03
    16   6    -0.11  -0.05   0.02     0.04  -0.05   0.12    -0.01   0.01  -0.00
    17   1    -0.00  -0.02   0.07     0.02  -0.04  -0.16     0.09  -0.06   0.27
    18   1     0.04  -0.03  -0.02    -0.05  -0.01   0.02     0.17  -0.11  -0.26
    19   1     0.03  -0.08   0.05    -0.10   0.18  -0.12     0.03   0.08   0.29
    20   1    -0.06  -0.25   0.48    -0.00   0.11  -0.27     0.01   0.11  -0.21
    21   1    -0.25   0.11  -0.28     0.03   0.03  -0.09     0.08  -0.02   0.05
    22   1    -0.22   0.07  -0.37     0.02   0.01  -0.00     0.06   0.00   0.07
    23   1     0.23   0.08  -0.01     0.63   0.23   0.10    -0.05  -0.04  -0.01
    24   1    -0.29  -0.01  -0.20    -0.20   0.08  -0.21    -0.03  -0.04   0.01
    25   1    -0.20  -0.03  -0.20    -0.20  -0.00  -0.25     0.06  -0.00   0.04
    26   1    -0.07   0.01  -0.02     0.07  -0.06   0.01    -0.24  -0.00  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1012.3060              1032.9575              1066.5896
 Red. masses --      1.4767                 1.8057                 1.7341
 Frc consts  --      0.8916                 1.1352                 1.1623
 IR Inten    --      0.1185                 0.1835                 0.4068
 RamAct Fr= 1--      1.6810                 5.5878                 6.5192
  Dep-P Fr= 1--      0.2217                 0.1097                 0.4884
  Dep-U Fr= 1--      0.3629                 0.1976                 0.6562
 Alpha2 Fr= 1--      0.0215                 0.0955                 0.0340
 Beta2  Fr= 1--      0.1017                 0.1841                 0.7130
 AlphaG Fr= 1--      0.0133                 0.0799                -0.0911
 Gamma2 Fr= 1--      0.8920                -0.2043                -0.5984
 Delta2 Fr= 1--      0.5900                -0.2860                -1.0543
 Raman1 Fr= 1--       6.724                 22.351                 26.077
 ROA1   Fr= 1--     104.508                -28.760                -91.185
 CID1   Fr= 1--      15.542                 -1.287                 -3.497
 Raman2 Fr= 1--       1.220                  2.209                  8.556
 ROA2   Fr= 1--      16.687                 -2.614                 -5.928
 CID2   Fr= 1--      13.676                 -1.184                 -0.693
 Raman3 Fr= 1--       2.440                  4.418                 17.113
 ROA3   Fr= 1--     104.508                -28.760                -91.185
 CID3   Fr= 1--      42.824                 -6.510                 -5.328
 RC180  Fr= 1--      -0.274                 -0.605                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02    -0.01  -0.08   0.00     0.07  -0.09  -0.02
     2   6    -0.05   0.06  -0.01    -0.01   0.09  -0.02    -0.13   0.02  -0.06
     3   6     0.03   0.02  -0.01     0.03   0.01  -0.01     0.02   0.02   0.02
     4   6     0.02   0.02   0.02     0.05   0.03   0.04    -0.04  -0.00  -0.02
     5   6    -0.02   0.04   0.03    -0.08   0.13   0.02     0.07  -0.01  -0.03
     6   6     0.01   0.00   0.01     0.03  -0.01   0.02     0.01  -0.01   0.02
     7   6     0.03  -0.04  -0.02     0.06  -0.10  -0.02     0.03   0.09   0.11
     8   6     0.01  -0.00   0.01    -0.02  -0.04   0.03    -0.01  -0.01  -0.03
     9   1     0.11  -0.12  -0.09     0.09  -0.08  -0.08     0.07   0.03  -0.00
    10   1    -0.03   0.07   0.12    -0.06   0.13   0.19    -0.15   0.04   0.05
    11   1    -0.17  -0.07  -0.05    -0.14  -0.16  -0.07    -0.16  -0.08  -0.07
    12   1     0.04  -0.10  -0.02     0.13  -0.22  -0.09    -0.05   0.19  -0.01
    13   1    -0.10   0.09  -0.03    -0.21   0.13  -0.01     0.10  -0.08   0.05
    14   1     0.00   0.04   0.02    -0.19   0.26  -0.13     0.38  -0.17   0.11
    15   6     0.02  -0.07  -0.04    -0.03   0.07   0.02    -0.03   0.01  -0.01
    16   6    -0.04   0.09   0.03     0.01  -0.04  -0.06    -0.01  -0.02   0.01
    17   1    -0.10  -0.18  -0.05    -0.07  -0.26  -0.02    -0.00   0.04   0.20
    18   1    -0.01  -0.03   0.03    -0.02   0.06   0.04    -0.14   0.47   0.12
    19   1    -0.02   0.04   0.02     0.10  -0.23   0.02     0.21  -0.42  -0.16
    20   1    -0.05   0.17   0.03     0.04  -0.10  -0.09     0.01   0.03  -0.12
    21   1     0.00  -0.08   0.36     0.03   0.07  -0.29     0.05   0.00  -0.02
    22   1    -0.03   0.24  -0.26     0.04  -0.18   0.22     0.04  -0.03   0.09
    23   1    -0.01  -0.20  -0.10    -0.20   0.03   0.02     0.07   0.04   0.02
    24   1    -0.34  -0.24  -0.12     0.25   0.10   0.13    -0.03   0.01  -0.02
    25   1     0.48   0.03   0.08    -0.20  -0.02   0.04    -0.09  -0.01  -0.05
    26   1    -0.01  -0.11  -0.07    -0.04  -0.18  -0.10     0.02  -0.13  -0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.4611              1103.0372              1132.2573
 Red. masses --      1.8455                 1.3001                 1.4716
 Frc consts  --      1.2693                 0.9320                 1.1115
 IR Inten    --      1.1460                 0.1015                 5.1091
 RamAct Fr= 1--      2.5964                 3.2185                 3.0871
  Dep-P Fr= 1--      0.7002                 0.3612                 0.5946
  Dep-U Fr= 1--      0.8237                 0.5307                 0.7458
 Alpha2 Fr= 1--      0.0023                 0.0272                 0.0089
 Beta2  Fr= 1--      0.3564                 0.2847                 0.3837
 AlphaG Fr= 1--      0.0198                 0.0363                -0.1773
 Gamma2 Fr= 1--     -2.1084                 0.6043                -2.9935
 Delta2 Fr= 1--     -1.0529                 0.3125                -0.7390
 Raman1 Fr= 1--      10.386                 12.874                 12.348
 ROA1   Fr= 1--    -236.101                 68.017               -311.020
 CID1   Fr= 1--     -22.734                  5.283                -25.187
 Raman2 Fr= 1--       4.277                  3.416                  4.605
 ROA2   Fr= 1--     -42.179                 12.004                -65.931
 CID2   Fr= 1--      -9.862                  3.514                -14.319
 Raman3 Fr= 1--       8.554                  6.832                  9.209
 ROA3   Fr= 1--    -236.101                 68.017               -311.020
 CID3   Fr= 1--     -27.601                  9.956                -33.773
 RC180  Fr= 1--       0.647                  0.061                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02  -0.09    -0.03  -0.01   0.05    -0.00  -0.02   0.05
     2   6     0.00  -0.02   0.09     0.06  -0.00  -0.02    -0.00   0.02  -0.03
     3   6     0.00  -0.01   0.07     0.04   0.03  -0.02    -0.01  -0.01  -0.02
     4   6     0.00  -0.05  -0.03    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   6     0.05   0.13   0.02    -0.03   0.02   0.00     0.04   0.04  -0.08
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.02   0.08   0.06
     7   6     0.05  -0.05  -0.05    -0.09  -0.04  -0.01    -0.02  -0.04   0.06
     8   6    -0.13  -0.07   0.00     0.05   0.01   0.00     0.02  -0.06  -0.03
     9   1    -0.21  -0.16  -0.00    -0.04   0.31   0.12     0.06   0.10   0.02
    10   1     0.01  -0.06  -0.14     0.25  -0.02   0.10    -0.24   0.09   0.07
    11   1     0.12   0.16   0.13     0.38  -0.14   0.02     0.13  -0.13  -0.02
    12   1    -0.03   0.11   0.03    -0.03   0.13  -0.01     0.05  -0.02  -0.07
    13   1     0.16  -0.13   0.04     0.10  -0.08   0.04    -0.09   0.02   0.05
    14   1     0.27   0.03   0.10     0.07  -0.06   0.08    -0.30  -0.23   0.37
    15   6     0.02  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.05  -0.03
    16   6    -0.01   0.02  -0.02    -0.00   0.03   0.01     0.01  -0.05  -0.03
    17   1     0.11   0.08  -0.40    -0.31  -0.23  -0.38     0.19   0.26  -0.26
    18   1    -0.02   0.42  -0.14    -0.19   0.27   0.28    -0.04   0.11   0.04
    19   1     0.14  -0.18   0.36     0.02  -0.12  -0.21    -0.11   0.25   0.13
    20   1    -0.01  -0.00   0.07     0.01  -0.04   0.02    -0.04   0.12   0.03
    21   1    -0.03  -0.00   0.03    -0.00   0.01  -0.05    -0.02  -0.05   0.21
    22   1    -0.02   0.05  -0.08    -0.01  -0.03   0.02    -0.00   0.15  -0.15
    23   1    -0.10  -0.05  -0.02     0.01  -0.04  -0.02    -0.06   0.09   0.05
    24   1     0.02  -0.03   0.04    -0.05  -0.05  -0.01     0.15   0.11   0.05
    25   1     0.06   0.00   0.05     0.11   0.01   0.01    -0.21  -0.02   0.00
    26   1     0.14   0.07   0.10    -0.07  -0.10  -0.06    -0.03  -0.19  -0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1171.5632              1214.7820              1225.6054
 Red. masses --      1.5883                 1.5442                 1.5578
 Frc consts  --      1.2844                 1.3426                 1.3787
 IR Inten    --      2.2865                 1.4122                 1.0076
 RamAct Fr= 1--     10.2242                11.5499                 3.0342
  Dep-P Fr= 1--      0.7480                 0.5674                 0.6888
  Dep-U Fr= 1--      0.8558                 0.7240                 0.8158
 Alpha2 Fr= 1--      0.0003                 0.0399                 0.0033
 Beta2  Fr= 1--      1.4584                 1.3937                 0.4125
 AlphaG Fr= 1--     -0.0046                -0.0718                -0.0161
 Gamma2 Fr= 1--      1.7800                -1.6991                -0.5638
 Delta2 Fr= 1--     -0.4274                 0.1966                 0.4668
 Raman1 Fr= 1--      40.897                 46.200                 12.137
 ROA1   Fr= 1--     157.208               -156.822                -39.182
 CID1   Fr= 1--       3.844                 -3.394                 -3.228
 Raman2 Fr= 1--      17.501                 16.724                  4.950
 ROA2   Fr= 1--      46.140                -42.352                -17.265
 CID2   Fr= 1--       2.636                 -2.532                 -3.488
 Raman3 Fr= 1--      35.001                 33.448                  9.901
 ROA3   Fr= 1--     157.208               -156.822                -39.182
 CID3   Fr= 1--       4.491                 -4.689                 -3.958
 RC180  Fr= 1--       0.712                  0.448                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00  -0.01   0.02    -0.03   0.02   0.01
     2   6    -0.01  -0.05   0.01    -0.03  -0.01   0.02     0.06   0.03  -0.05
     3   6    -0.02  -0.02   0.05     0.01  -0.00  -0.02    -0.02   0.00   0.03
     4   6    -0.00   0.01  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.01
     5   6     0.03   0.04  -0.07     0.01   0.03  -0.01     0.02   0.08  -0.05
     6   6     0.13   0.03   0.06     0.12  -0.11  -0.07    -0.06  -0.06  -0.11
     7   6     0.01   0.03  -0.03     0.01   0.03   0.02    -0.05  -0.04   0.02
     8   6     0.01  -0.03   0.03    -0.04   0.02   0.01     0.02  -0.01   0.04
     9   1    -0.06   0.01   0.04    -0.04   0.17   0.08     0.16  -0.42  -0.22
    10   1     0.40  -0.13  -0.04    -0.29   0.02  -0.09     0.06   0.05   0.10
    11   1    -0.17   0.12  -0.01     0.27  -0.01   0.08    -0.25  -0.06  -0.12
    12   1    -0.01   0.02  -0.01     0.00   0.03  -0.02     0.03  -0.05  -0.01
    13   1    -0.03   0.02   0.00    -0.05   0.02   0.02     0.06  -0.05   0.02
    14   1    -0.42  -0.11   0.23    -0.28  -0.06   0.17    -0.12  -0.28   0.46
    15   6    -0.08  -0.02  -0.03    -0.05   0.04   0.03     0.02   0.02   0.04
    16   6    -0.05  -0.03   0.00    -0.04   0.04   0.04     0.01   0.03   0.04
    17   1    -0.29  -0.33   0.04     0.18   0.27  -0.23     0.10   0.13   0.09
    18   1    -0.02   0.04   0.06     0.12  -0.22  -0.17    -0.03   0.01   0.10
    19   1    -0.01   0.01   0.03     0.03  -0.05   0.05     0.03  -0.12  -0.08
    20   1     0.00   0.15  -0.29     0.05  -0.09  -0.16     0.02  -0.12   0.08
    21   1     0.15  -0.05   0.10     0.12   0.02  -0.14    -0.03   0.03  -0.07
    22   1     0.12   0.03   0.14     0.04  -0.13   0.21    -0.03  -0.11   0.07
    23   1     0.00   0.01  -0.00     0.09  -0.12  -0.06     0.13  -0.03  -0.01
    24   1    -0.11  -0.01  -0.07    -0.23  -0.12  -0.09    -0.07  -0.02  -0.03
    25   1    -0.13  -0.02  -0.07     0.17   0.02  -0.06     0.13   0.02  -0.04
    26   1     0.01   0.23   0.11     0.07  -0.28  -0.14    -0.13   0.31   0.15
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1231.6600              1244.9767              1264.6837
 Red. masses --      1.7511                 2.2311                 1.4647
 Frc consts  --      1.5651                 2.0375                 1.3802
 IR Inten    --      1.1306                 2.5855                 1.1033
 RamAct Fr= 1--      9.6866                 5.2187                 5.0394
  Dep-P Fr= 1--      0.6190                 0.1556                 0.5476
  Dep-U Fr= 1--      0.7646                 0.2693                 0.7077
 Alpha2 Fr= 1--      0.0232                 0.0795                 0.0195
 Beta2  Fr= 1--      1.2345                 0.2342                 0.5944
 AlphaG Fr= 1--     -0.0484                -0.0258                -0.0704
 Gamma2 Fr= 1--     -1.3672                -2.3050                 1.1852
 Delta2 Fr= 1--     -0.5170                -1.0048                 0.6818
 Raman1 Fr= 1--      38.746                 20.875                 20.157
 ROA1   Fr= 1--    -147.800               -253.437                135.602
 CID1   Fr= 1--      -3.815                -12.141                  6.727
 Raman2 Fr= 1--      14.814                  2.811                  7.132
 ROA2   Fr= 1--     -28.678                -47.283                 22.991
 CID2   Fr= 1--      -1.936                -16.822                  3.224
 Raman3 Fr= 1--      29.627                  5.622                 14.265
 ROA3   Fr= 1--    -147.800               -253.437                135.602
 CID3   Fr= 1--      -4.989                -45.083                  9.506
 RC180  Fr= 1--       0.529                 -0.461                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.05     0.02   0.02   0.01     0.03  -0.03  -0.04
     2   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.05    -0.03   0.01   0.04
     3   6     0.05   0.03   0.03    -0.05  -0.04   0.00    -0.00  -0.01  -0.02
     4   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.00   0.02   0.01
     5   6    -0.09   0.03  -0.01     0.02  -0.03  -0.01     0.02   0.02  -0.06
     6   6    -0.03  -0.08  -0.04     0.04  -0.14   0.22    -0.11  -0.02   0.02
     7   6     0.05   0.04   0.08    -0.06  -0.01   0.08     0.04  -0.03   0.00
     8   6     0.06  -0.11  -0.07     0.01   0.06  -0.05    -0.03   0.08   0.05
     9   1    -0.12   0.21   0.12     0.09  -0.16  -0.07    -0.20   0.43   0.22
    10   1     0.39  -0.06   0.08     0.19  -0.02   0.09     0.31  -0.06   0.02
    11   1    -0.16   0.06  -0.01    -0.09  -0.02  -0.06    -0.22   0.11   0.01
    12   1    -0.03   0.05   0.03     0.02  -0.07  -0.01     0.00   0.01  -0.01
    13   1     0.07  -0.03  -0.01    -0.05   0.04  -0.02    -0.06   0.04  -0.00
    14   1     0.06  -0.03   0.04     0.04   0.04  -0.11    -0.04  -0.23   0.29
    15   6     0.01   0.04   0.02     0.01   0.05  -0.06     0.04   0.01  -0.00
    16   6     0.01   0.02   0.00    -0.01   0.06  -0.08     0.03   0.01  -0.01
    17   1     0.04   0.05  -0.02     0.14   0.32  -0.40    -0.00  -0.08  -0.02
    18   1    -0.03   0.07   0.04     0.01  -0.03  -0.05     0.15  -0.33  -0.15
    19   1    -0.28   0.64   0.28     0.04  -0.06  -0.17     0.12  -0.28  -0.13
    20   1     0.03  -0.12   0.03     0.02  -0.00  -0.09    -0.01  -0.04   0.13
    21   1    -0.03   0.05  -0.15    -0.05   0.07  -0.22    -0.11   0.03  -0.01
    22   1    -0.05  -0.11   0.05    -0.07   0.03  -0.13    -0.07  -0.02  -0.10
    23   1     0.01  -0.03  -0.02    -0.32  -0.14  -0.09    -0.04   0.02   0.01
    24   1     0.02  -0.02   0.03     0.08  -0.15   0.14     0.09   0.01   0.05
    25   1     0.08   0.01   0.02     0.12   0.02   0.22     0.02   0.00   0.07
    26   1     0.03   0.07   0.04    -0.11   0.30   0.13     0.12  -0.14  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1288.8859              1293.3832              1317.6069
 Red. masses --      1.6423                 1.7058                 1.8432
 Frc consts  --      1.6074                 1.6813                 1.8853
 IR Inten    --      2.7381                 0.8457                 0.5052
 RamAct Fr= 1--      5.3890                 3.7199                 5.0732
  Dep-P Fr= 1--      0.5280                 0.5246                 0.3250
  Dep-U Fr= 1--      0.6911                 0.6882                 0.4906
 Alpha2 Fr= 1--      0.0232                 0.0163                 0.0482
 Beta2  Fr= 1--      0.6207                 0.4267                 0.4148
 AlphaG Fr= 1--     -0.0356                 0.0463                -0.0415
 Gamma2 Fr= 1--      4.8117                 0.7631                -3.3462
 Delta2 Fr= 1--      3.8413                 0.2309                -1.3080
 Raman1 Fr= 1--      21.556                 14.880                 20.293
 ROA1   Fr= 1--     584.849                 80.644               -363.094
 CID1   Fr= 1--      27.132                  5.420                -17.893
 Raman2 Fr= 1--       7.449                  5.120                  4.978
 ROA2   Fr= 1--      84.751                 16.467                -69.845
 CID2   Fr= 1--      11.378                  3.216                -14.032
 Raman3 Fr= 1--      14.898                 10.240                  9.955
 ROA3   Fr= 1--     584.849                 80.644               -363.094
 CID3   Fr= 1--      39.257                  7.875                -36.472
 RC180  Fr= 1--       0.382                  0.376                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02     0.02   0.04   0.04    -0.03  -0.04   0.01
     2   6     0.02  -0.02   0.05     0.03  -0.04  -0.00    -0.04   0.00  -0.02
     3   6    -0.00  -0.01  -0.02    -0.14  -0.08  -0.11     0.08   0.09   0.08
     4   6     0.00   0.00   0.00     0.07   0.01   0.04    -0.02  -0.04  -0.03
     5   6     0.06   0.02  -0.01    -0.05   0.08  -0.00    -0.09   0.00  -0.10
     6   6    -0.04  -0.10   0.07     0.03  -0.01   0.01    -0.03  -0.04   0.09
     7   6    -0.04   0.04  -0.12     0.02   0.06  -0.01     0.07   0.07  -0.06
     8   6     0.04  -0.06  -0.00     0.02  -0.03   0.01     0.01   0.02   0.05
     9   1    -0.01  -0.04  -0.02     0.02   0.12   0.05     0.11  -0.23  -0.13
    10   1    -0.06  -0.02  -0.06    -0.21   0.00  -0.07    -0.27   0.04  -0.08
    11   1    -0.06   0.12   0.05     0.02   0.03   0.00     0.52  -0.12   0.07
    12   1     0.02   0.01  -0.03     0.13  -0.32  -0.07    -0.02   0.05  -0.01
    13   1    -0.04   0.00   0.02    -0.11   0.08  -0.02     0.21  -0.15   0.06
    14   1    -0.23   0.00   0.09     0.70  -0.25   0.27     0.07  -0.23   0.18
    15   6     0.02   0.03  -0.02    -0.01   0.01   0.00     0.01   0.01  -0.02
    16   6     0.01   0.05  -0.02    -0.00   0.00  -0.00     0.02   0.01  -0.03
    17   1     0.03   0.01   0.55    -0.18  -0.18  -0.01    -0.16  -0.24   0.15
    18   1    -0.14   0.33   0.21     0.00  -0.05   0.04     0.14  -0.30  -0.11
    19   1    -0.05   0.07  -0.00    -0.05   0.12   0.10    -0.05   0.07  -0.00
    20   1     0.01  -0.04   0.02     0.01  -0.00  -0.05     0.00  -0.01   0.00
    21   1    -0.07   0.04  -0.09     0.02   0.00  -0.03    -0.04   0.02  -0.04
    22   1    -0.07  -0.03  -0.08     0.00  -0.01   0.02    -0.04   0.00  -0.06
    23   1    -0.11  -0.09  -0.05    -0.01  -0.03  -0.01    -0.13  -0.01  -0.00
    24   1     0.01  -0.11   0.06    -0.02  -0.02  -0.00     0.05  -0.05   0.04
    25   1     0.08   0.02   0.10    -0.01   0.00  -0.01    -0.06   0.00   0.09
    26   1     0.20  -0.45  -0.21    -0.03   0.03  -0.00    -0.10   0.11   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1327.0278              1349.9229              1373.8691
 Red. masses --      1.6437                 1.6964                 1.4409
 Frc consts  --      1.7054                 1.8214                 1.6024
 IR Inten    --      1.8627                 1.4534                 0.2508
 RamAct Fr= 1--      1.4668                 4.2097                 2.3753
  Dep-P Fr= 1--      0.6807                 0.5488                 0.7400
  Dep-U Fr= 1--      0.8100                 0.7087                 0.8506
 Alpha2 Fr= 1--      0.0018                 0.0162                 0.0004
 Beta2  Fr= 1--      0.1980                 0.4972                 0.3367
 AlphaG Fr= 1--     -0.0011                -0.0260                -0.0010
 Gamma2 Fr= 1--      2.0632                -1.0968                 0.0693
 Delta2 Fr= 1--      1.6175                -1.0510                -0.2498
 Raman1 Fr= 1--       5.867                 16.839                  9.501
 ROA1   Fr= 1--     249.829               -138.931                 -1.343
 CID1   Fr= 1--      42.581                 -8.251                 -0.141
 Raman2 Fr= 1--       2.376                  5.967                  4.041
 ROA2   Fr= 1--      36.578                -17.916                  3.661
 CID2   Fr= 1--      15.393                 -3.003                  0.906
 Raman3 Fr= 1--       4.753                 11.934                  8.082
 ROA3   Fr= 1--     249.829               -138.931                 -1.343
 CID3   Fr= 1--      52.566                -11.642                 -0.166
 RC180  Fr= 1--       0.620                  0.417                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.01    -0.01   0.13   0.07     0.03   0.02   0.03
     2   6    -0.02   0.02  -0.02    -0.07  -0.05  -0.05    -0.14   0.04  -0.02
     3   6    -0.05  -0.08  -0.03    -0.03   0.00  -0.03    -0.05  -0.02  -0.03
     4   6     0.00   0.04   0.01     0.01  -0.01   0.00     0.02   0.01   0.01
     5   6     0.12   0.00   0.04     0.05  -0.01   0.02    -0.00   0.02   0.01
     6   6    -0.09  -0.05  -0.03    -0.06  -0.01  -0.03     0.02   0.03  -0.01
     7   6     0.06   0.06  -0.01     0.09   0.05   0.09    -0.01  -0.07  -0.06
     8   6    -0.03  -0.03  -0.02    -0.03   0.00  -0.02    -0.00   0.01   0.01
     9   1    -0.00   0.18   0.09     0.17  -0.44  -0.19     0.08  -0.06  -0.03
    10   1    -0.17   0.05  -0.02     0.30  -0.12  -0.00     0.55  -0.07   0.12
    11   1     0.40  -0.10   0.04     0.07   0.00  -0.02     0.56  -0.06   0.10
    12   1    -0.02   0.06   0.03     0.03  -0.09  -0.03     0.04  -0.11  -0.02
    13   1    -0.21   0.15  -0.06     0.05  -0.04   0.03     0.00   0.01  -0.00
    14   1    -0.36   0.14  -0.03    -0.13   0.06  -0.03     0.11  -0.02   0.03
    15   6     0.03   0.02  -0.00     0.02   0.01  -0.00    -0.01  -0.02   0.02
    16   6     0.02   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.01   0.01
    17   1    -0.16  -0.21   0.04    -0.26  -0.28  -0.33     0.32   0.23   0.31
    18   1    -0.03   0.19  -0.03     0.06  -0.04  -0.13    -0.04  -0.04   0.07
    19   1     0.01   0.01   0.09     0.00   0.01   0.05     0.05  -0.06   0.04
    20   1    -0.00  -0.07   0.11    -0.00  -0.05   0.08     0.01   0.04  -0.05
    21   1    -0.08   0.02   0.01    -0.04   0.01   0.04     0.02  -0.01  -0.04
    22   1    -0.05  -0.08  -0.02    -0.02  -0.06   0.01     0.01   0.07  -0.02
    23   1     0.03  -0.02  -0.01     0.04   0.03   0.01     0.01   0.02   0.01
    24   1     0.01  -0.03   0.02     0.03   0.02   0.01    -0.01   0.05  -0.02
    25   1     0.05   0.01   0.03     0.01  -0.01   0.01     0.02  -0.01  -0.04
    26   1    -0.24   0.47   0.21     0.12  -0.39  -0.24    -0.01   0.04   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1405.5161              1423.6932              1456.8154
 Red. masses --      1.2580                 1.2170                 1.1947
 Frc consts  --      1.4642                 1.4534                 1.4939
 IR Inten    --      6.2356                 6.7113                 1.9831
 RamAct Fr= 1--      0.2301                 0.7075                37.5684
  Dep-P Fr= 1--      0.2975                 0.0470                 0.3374
  Dep-U Fr= 1--      0.4586                 0.0898                 0.5045
 Alpha2 Fr= 1--      0.0024                 0.0141                 0.3435
 Beta2  Fr= 1--      0.0176                 0.0106                 3.1590
 AlphaG Fr= 1--     -0.0029                 0.0124                -0.1378
 Gamma2 Fr= 1--      0.0999                -0.0702                -0.3568
 Delta2 Fr= 1--      0.0294                -0.0123                 0.4165
 Raman1 Fr= 1--       0.920                  2.830                150.273
 ROA1   Fr= 1--      10.534                 -7.133                -20.926
 CID1   Fr= 1--      11.446                 -2.520                 -0.139
 Raman2 Fr= 1--       0.211                  0.127                 37.908
 ROA2   Fr= 1--       2.163                 -1.586                -11.896
 CID2   Fr= 1--      10.249                -12.484                 -0.314
 Raman3 Fr= 1--       0.422                  0.254                 75.815
 ROA3   Fr= 1--      10.534                 -7.133                -20.926
 CID3   Fr= 1--      24.961                -28.072                 -0.276
 RC180  Fr= 1--      -0.083                 -0.820                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
     2   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
     5   6    -0.01   0.00  -0.01    -0.01  -0.00   0.00    -0.04   0.02  -0.02
     6   6     0.02  -0.01   0.03     0.01   0.00   0.01     0.00   0.00   0.01
     7   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.00   0.01     0.00   0.01  -0.01     0.00   0.00   0.00
     9   1    -0.01   0.00   0.01     0.01   0.01  -0.00     0.11  -0.09  -0.10
    10   1     0.01  -0.00  -0.03     0.05  -0.01  -0.01     0.04  -0.01   0.01
    11   1     0.03  -0.02   0.01     0.01  -0.02   0.00     0.03   0.00   0.00
    12   1     0.01  -0.02  -0.01     0.01  -0.03  -0.00    -0.12   0.64   0.20
    13   1     0.01  -0.01   0.00     0.02  -0.00   0.00    -0.58   0.27  -0.19
    14   1     0.03  -0.01   0.00     0.04   0.01  -0.02     0.15  -0.07   0.05
    15   6    -0.01   0.04  -0.09    -0.00   0.04  -0.09     0.00   0.00  -0.00
    16   6    -0.10  -0.02  -0.03     0.08   0.02   0.02     0.00  -0.00  -0.00
    17   1     0.03   0.03   0.03     0.05   0.05   0.01    -0.00  -0.00  -0.00
    18   1     0.03   0.02  -0.02    -0.04  -0.04   0.05     0.00  -0.05   0.01
    19   1    -0.04   0.01  -0.06     0.05  -0.01   0.06     0.00   0.00   0.01
    20   1    -0.11  -0.17   0.28    -0.11  -0.17   0.29    -0.00   0.01   0.00
    21   1     0.03  -0.00   0.39    -0.02   0.01   0.44    -0.02   0.00   0.02
    22   1     0.15  -0.27   0.26     0.13  -0.33   0.27     0.00  -0.02   0.01
    23   1     0.36   0.17  -0.04    -0.33  -0.15   0.03    -0.01   0.01   0.01
    24   1     0.29   0.18   0.25    -0.27  -0.20  -0.22     0.00   0.01  -0.01
    25   1     0.41  -0.07   0.11    -0.38   0.07  -0.07    -0.00  -0.00   0.00
    26   1    -0.01   0.01  -0.00     0.01   0.00   0.00     0.10  -0.04   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1478.3650              1485.1541              1487.0037
 Red. masses --      1.0766                 1.0508                 1.0557
 Frc consts  --      1.3863                 1.3656                 1.3753
 IR Inten    --      3.6404                 3.0541                 2.3279
 RamAct Fr= 1--      7.7000                 7.7861                 1.8705
  Dep-P Fr= 1--      0.5977                 0.7424                 0.7431
  Dep-U Fr= 1--      0.7482                 0.8521                 0.8527
 Alpha2 Fr= 1--      0.0217                 0.0010                 0.0002
 Beta2  Fr= 1--      0.9602                 1.1058                 0.2658
 AlphaG Fr= 1--     -0.0051                 0.0063                 0.0018
 Gamma2 Fr= 1--     -0.9645                -0.5998                -0.2444
 Delta2 Fr= 1--      2.1192                -3.1729                 0.0179
 Raman1 Fr= 1--      30.800                 31.144                  7.482
 ROA1   Fr= 1--     -24.778               -159.116                -22.889
 CID1   Fr= 1--      -0.804                 -5.109                 -3.059
 Raman2 Fr= 1--      11.523                 13.270                  3.190
 ROA2   Fr= 1--     -40.102                 10.987                 -6.008
 CID2   Fr= 1--      -3.480                  0.828                 -1.883
 Raman3 Fr= 1--      23.045                 26.539                  6.380
 ROA3   Fr= 1--     -24.778               -159.116                -22.889
 CID3   Fr= 1--      -1.075                 -5.996                 -3.588
 RC180  Fr= 1--       0.496                  0.704                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.01    -0.00  -0.01  -0.01    -0.00   0.02   0.01
     3   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     6   6     0.00  -0.00   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.02
     7   6     0.00   0.01   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.00  -0.01   0.02
     9   1     0.42   0.31  -0.29     0.18   0.13  -0.12     0.06   0.04  -0.04
    10   1     0.03  -0.04  -0.19    -0.01   0.01   0.09     0.06  -0.03  -0.17
    11   1    -0.04  -0.20  -0.02     0.02   0.08   0.01    -0.03  -0.17  -0.02
    12   1     0.01  -0.07  -0.03     0.01  -0.03  -0.01     0.00   0.00   0.00
    13   1     0.06  -0.03   0.02     0.03  -0.01   0.01    -0.02   0.01  -0.00
    14   1    -0.03   0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
    15   6     0.00   0.01   0.01    -0.00  -0.03  -0.02    -0.04   0.00  -0.00
    16   6    -0.00  -0.01   0.00    -0.01   0.03   0.01     0.01   0.01  -0.03
    17   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.01   0.00   0.01
    18   1    -0.10  -0.08   0.10    -0.02  -0.04   0.02     0.07   0.08  -0.08
    19   1     0.09  -0.02   0.12     0.02  -0.00   0.03    -0.08   0.02  -0.12
    20   1     0.08  -0.11  -0.13    -0.19   0.34   0.30    -0.04  -0.29   0.16
    21   1     0.02   0.00   0.10    -0.13   0.01  -0.25     0.46  -0.06  -0.09
    22   1    -0.14  -0.08  -0.09     0.34   0.17   0.23     0.13   0.32  -0.02
    23   1    -0.07   0.06   0.05     0.20  -0.31  -0.18     0.17   0.21   0.03
    24   1    -0.00   0.13  -0.07     0.13  -0.18   0.25    -0.10  -0.36   0.06
    25   1     0.11  -0.02  -0.02    -0.16   0.04  -0.17    -0.20   0.01   0.42
    26   1     0.47  -0.02   0.39     0.20  -0.01   0.16     0.06  -0.00   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1502.6174              1505.2099              1515.4785
 Red. masses --      1.0715                 1.0673                 1.0670
 Frc consts  --      1.4254                 1.4248                 1.4438
 IR Inten    --      6.1075                 5.9165                 5.1318
 RamAct Fr= 1--      8.2298                 3.1644                 3.4078
  Dep-P Fr= 1--      0.7465                 0.6754                 0.7137
  Dep-U Fr= 1--      0.8548                 0.8062                 0.8330
 Alpha2 Fr= 1--      0.0005                 0.0042                 0.0021
 Beta2  Fr= 1--      1.1725                 0.4252                 0.4731
 AlphaG Fr= 1--     -0.0043                 0.0032                -0.0163
 Gamma2 Fr= 1--     -1.5935                 2.8531                 1.8849
 Delta2 Fr= 1--      0.6288                 0.4318                 0.4949
 Raman1 Fr= 1--      32.919                 12.658                 13.631
 ROA1   Fr= 1--    -132.853                287.714                196.786
 CID1   Fr= 1--      -4.036                 22.730                 14.437
 Raman2 Fr= 1--      14.070                  5.103                  5.677
 ROA2   Fr= 1--     -43.274                 65.020                 41.278
 CID2   Fr= 1--      -3.076                 12.743                  7.271
 Raman3 Fr= 1--      28.140                 10.205                 11.354
 ROA3   Fr= 1--    -132.853                287.714                196.786
 CID3   Fr= 1--      -4.721                 28.193                 17.332
 RC180  Fr= 1--       0.710                  0.612                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.02  -0.02    -0.00  -0.03  -0.03     0.00  -0.03  -0.03
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
     6   6    -0.02  -0.03   0.01     0.02   0.00  -0.03    -0.01   0.03   0.01
     7   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.00  -0.00   0.01    -0.00   0.02  -0.03
     9   1     0.00   0.01  -0.00     0.10   0.07  -0.07     0.00   0.01  -0.01
    10   1    -0.07   0.04   0.23    -0.07   0.05   0.35    -0.07   0.06   0.35
    11   1     0.02   0.25   0.02     0.07   0.35   0.04     0.05   0.37   0.03
    12   1    -0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.01   0.00
    13   1     0.01  -0.00   0.00     0.03  -0.01   0.01     0.00  -0.00   0.00
    14   1    -0.03  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00  -0.01
    15   6    -0.03  -0.01  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.01
    16   6     0.01  -0.03   0.01     0.00  -0.01  -0.03    -0.01   0.02  -0.00
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.02   0.00
    18   1    -0.14  -0.13   0.16     0.03   0.04  -0.03    -0.16  -0.17   0.18
    19   1     0.15  -0.03   0.21    -0.04   0.00  -0.05     0.17  -0.05   0.23
    20   1    -0.12  -0.07   0.28    -0.00   0.24  -0.08     0.12  -0.35  -0.14
    21   1     0.26  -0.03  -0.19    -0.32   0.04   0.02     0.25  -0.03   0.17
    22   1     0.25   0.29   0.09    -0.03  -0.20   0.07    -0.19  -0.01  -0.17
    23   1    -0.26   0.21   0.16     0.08   0.38   0.13     0.23  -0.18  -0.13
    24   1    -0.08   0.31  -0.26    -0.17  -0.21  -0.09     0.11  -0.18   0.23
    25   1     0.26  -0.04   0.01    -0.06  -0.03   0.47    -0.16   0.03  -0.06
    26   1     0.00  -0.00   0.00     0.11   0.00   0.10     0.00   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1523.4688              1711.3242              3023.7682
 Red. masses --      1.0841                 5.7703                 1.0391
 Frc consts  --      1.4825                 9.9566                 5.5975
 IR Inten    --      5.9389                33.4783                15.7442
 RamAct Fr= 1--      5.2279               122.3719                11.1037
  Dep-P Fr= 1--      0.4953                 0.1784                 0.4660
  Dep-U Fr= 1--      0.6625                 0.3028                 0.6357
 Alpha2 Fr= 1--      0.0264                 1.7588                 0.0637
 Beta2  Fr= 1--      0.5773                 6.1752                 1.1764
 AlphaG Fr= 1--      0.0200                -0.1358                -0.0242
 Gamma2 Fr= 1--     -2.2326                -3.0655                 0.4228
 Delta2 Fr= 1--     -0.8326                 3.2666                 0.0063
 Raman1 Fr= 1--      20.912                489.488                 44.415
 ROA1   Fr= 1--    -240.976               -189.759                 40.787
 CID1   Fr= 1--     -11.524                 -0.388                  0.918
 Raman2 Fr= 1--       6.927                 74.103                 14.117
 ROA2   Fr= 1--     -46.923                -99.705                 10.096
 CID2   Fr= 1--      -6.774                 -1.346                  0.715
 Raman3 Fr= 1--      13.854                148.205                 28.234
 ROA3   Fr= 1--    -240.976               -189.759                 40.787
 CID3   Fr= 1--     -17.394                 -1.280                  1.445
 RC180  Fr= 1--       0.325                 -0.394                  0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.06  -0.01    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.00    -0.31   0.39   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.26  -0.33  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.01     0.05  -0.04   0.02    -0.00   0.00   0.00
     6   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.00
     7   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.03  -0.06     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.12  -0.09   0.09    -0.01   0.16   0.05     0.01  -0.00   0.01
    10   1     0.03  -0.04  -0.28     0.00  -0.01  -0.00    -0.01  -0.03   0.01
    11   1    -0.06  -0.28  -0.03    -0.01   0.01   0.00     0.01   0.00  -0.03
    12   1    -0.00   0.02   0.01     0.16   0.41   0.24    -0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.44  -0.05  -0.23     0.00   0.00   0.00
    14   1    -0.01  -0.01  -0.00    -0.17   0.07  -0.06    -0.00  -0.00  -0.00
    15   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    16   6    -0.01   0.00  -0.02    -0.00   0.00   0.00    -0.04  -0.02   0.00
    17   1    -0.02   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02   0.00
    18   1    -0.29  -0.29   0.33     0.01   0.01   0.00    -0.02   0.00  -0.02
    19   1     0.29  -0.07   0.42    -0.01   0.02  -0.01     0.01   0.01  -0.00
    20   1    -0.02   0.19  -0.01    -0.01   0.03  -0.00     0.19   0.04   0.06
    21   1    -0.18   0.02  -0.05    -0.03   0.00  -0.01    -0.05  -0.40  -0.03
    22   1     0.03  -0.05   0.05     0.01  -0.01   0.02    -0.31   0.18   0.30
    23   1     0.16   0.15   0.02     0.00   0.00   0.00     0.04  -0.11   0.26
    24   1    -0.02  -0.16   0.06    -0.01   0.00  -0.01     0.34  -0.18  -0.33
    25   1    -0.04  -0.01   0.24     0.01  -0.00  -0.00     0.04   0.48   0.03
    26   1    -0.14  -0.00  -0.12     0.01  -0.02  -0.01     0.01   0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3027.1885              3029.5247              3037.9431
 Red. masses --      1.0689                 1.0400                 1.0667
 Frc consts  --      5.7713                 5.6239                 5.8002
 IR Inten    --      4.7183                50.3511                26.3983
 RamAct Fr= 1--     32.8967               272.0322               139.6831
  Dep-P Fr= 1--      0.1897                 0.0352                 0.2714
  Dep-U Fr= 1--      0.3189                 0.0679                 0.4269
 Alpha2 Fr= 1--      0.4591                 5.5661                 1.5581
 Beta2  Fr= 1--      1.7483                 3.0794                 9.9381
 AlphaG Fr= 1--     -0.7648                -0.1928                -0.1761
 Gamma2 Fr= 1--      5.9958                -2.4610                 7.8075
 Delta2 Fr= 1--     13.6742                 2.8074                -6.4748
 Raman1 Fr= 1--     131.587               1088.129                558.732
 ROA1   Fr= 1--    1013.175               -146.415                542.326
 CID1   Fr= 1--       7.700                 -0.135                  0.971
 Raman2 Fr= 1--      20.979                 36.953                119.258
 ROA2   Fr= 1--      34.506                -81.523                239.178
 CID2   Fr= 1--       1.645                 -2.206                  2.006
 Raman3 Fr= 1--      41.959                 73.905                238.515
 ROA3   Fr= 1--    1013.175               -146.415                542.326
 CID3   Fr= 1--      24.147                 -1.981                  2.274
 RC180  Fr= 1--      -0.362                 -0.864                 -0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.03    -0.00  -0.00   0.00    -0.02  -0.02   0.02
     2   6    -0.01  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.04  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.15   0.05  -0.22     0.00  -0.00   0.00     0.02  -0.01   0.03
    10   1     0.08   0.39  -0.07     0.00   0.01  -0.00     0.11   0.56  -0.11
    11   1    -0.02  -0.02   0.10    -0.01  -0.01   0.05    -0.11  -0.08   0.55
    12   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.02  -0.02   0.03     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.00  -0.00  -0.00
    17   1     0.08  -0.07  -0.01    -0.06   0.05   0.01     0.32  -0.28  -0.05
    18   1    -0.02  -0.00  -0.02    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    19   1     0.07   0.04  -0.03     0.02   0.01  -0.01    -0.03  -0.02   0.01
    20   1    -0.01  -0.00  -0.00    -0.23  -0.04  -0.08    -0.01  -0.00  -0.01
    21   1     0.00  -0.00   0.00     0.06   0.46   0.03    -0.00  -0.03  -0.00
    22   1     0.00  -0.00  -0.00     0.36  -0.21  -0.35    -0.02   0.01   0.02
    23   1     0.00  -0.01   0.02     0.04  -0.10   0.23     0.00  -0.00   0.00
    24   1     0.02  -0.01  -0.02     0.29  -0.15  -0.28     0.01  -0.00  -0.00
    25   1     0.00   0.03   0.00     0.03   0.41   0.02     0.00   0.02   0.00
    26   1    -0.44  -0.45   0.57     0.02   0.02  -0.03     0.20   0.20  -0.26
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3053.9508              3064.3009              3066.5072
 Red. masses --      1.0806                 1.0967                 1.0811
 Frc consts  --      5.9380                 6.0672                 5.9898
 IR Inten    --     83.1359                29.9896                32.1320
 RamAct Fr= 1--    213.7962                80.2801                60.6685
  Dep-P Fr= 1--      0.1711                 0.4346                 0.7248
  Dep-U Fr= 1--      0.2921                 0.6059                 0.8404
 Alpha2 Fr= 1--      3.1317                 0.5230                 0.0263
 Beta2  Fr= 1--     10.4100                 8.1065                 8.4981
 AlphaG Fr= 1--      0.3784                 0.1281                 0.0295
 Gamma2 Fr= 1--      5.9677                10.0716               -25.3440
 Delta2 Fr= 1--      4.2786                19.1941               -13.7476
 Raman1 Fr= 1--     855.185                321.120                242.674
 ROA1   Fr= 1--     709.812               1581.082              -2872.944
 CID1   Fr= 1--       0.830                  4.924                -11.839
 Raman2 Fr= 1--     124.920                 97.278                101.977
 ROA2   Fr= 1--     108.995                 88.166               -498.274
 CID2   Fr= 1--       0.873                  0.906                 -4.886
 Raman3 Fr= 1--     249.840                194.557                203.954
 ROA3   Fr= 1--     709.812               1581.082              -2872.944
 CID3   Fr= 1--       2.841                  8.127                -14.086
 RC180  Fr= 1--      -0.416                  0.212                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.03   0.01  -0.04    -0.00   0.00   0.00
     2   6    -0.00   0.02   0.02    -0.02  -0.05   0.05     0.00   0.01  -0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.06  -0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.06   0.05   0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
     9   1     0.07  -0.01   0.09     0.33  -0.09   0.44     0.01  -0.00   0.01
    10   1    -0.05  -0.25   0.05     0.11   0.55  -0.08    -0.01  -0.07   0.01
    11   1     0.06   0.05  -0.34     0.10   0.06  -0.54    -0.02  -0.01   0.11
    12   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.01     0.02   0.10   0.08     0.12   0.69   0.52
    15   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
    17   1     0.65  -0.55  -0.10    -0.08   0.07   0.01    -0.04   0.03   0.01
    18   1    -0.10  -0.00  -0.07     0.02   0.00   0.01    -0.18  -0.01  -0.14
    19   1     0.12   0.08  -0.06    -0.04  -0.03   0.02     0.30   0.20  -0.15
    20   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.00  -0.01
    21   1     0.01   0.05   0.00     0.01   0.07   0.00     0.00   0.01   0.00
    22   1     0.03  -0.02  -0.03    -0.01   0.00   0.01     0.01  -0.00  -0.01
    23   1     0.01  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.01   0.03
    24   1     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.03  -0.01  -0.03
    25   1     0.01   0.06   0.00    -0.00  -0.03  -0.00    -0.00  -0.06  -0.00
    26   1    -0.04  -0.04   0.04     0.00   0.01  -0.02     0.00   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3073.9905              3075.0121              3080.2467
 Red. masses --      1.0994                 1.0747                 1.1001
 Frc consts  --      6.1206                 5.9872                 6.1497
 IR Inten    --      1.0410                24.0052                55.3971
 RamAct Fr= 1--     34.7331               272.7083               142.5690
  Dep-P Fr= 1--      0.1462                 0.0198                 0.7357
  Dep-U Fr= 1--      0.2551                 0.0389                 0.8477
 Alpha2 Fr= 1--      0.5421                 5.7850                 0.0348
 Beta2  Fr= 1--      1.4767                 1.7692                20.1430
 AlphaG Fr= 1--      0.4756                 0.5030                 0.2471
 Gamma2 Fr= 1--      7.6882                 1.5060                 1.9669
 Delta2 Fr= 1--      2.4251                 3.7855                -1.0471
 Raman1 Fr= 1--     138.932               1090.833                570.276
 ROA1   Fr= 1--     815.673                265.711                155.316
 CID1   Fr= 1--       5.871                  0.244                  0.272
 Raman2 Fr= 1--      17.720                 21.230                241.716
 ROA2   Fr= 1--     165.117                  5.859                 55.583
 CID2   Fr= 1--       9.318                  0.276                  0.230
 Raman3 Fr= 1--      35.441                 42.460                483.432
 ROA3   Fr= 1--     815.673                265.711                155.316
 CID3   Fr= 1--      23.015                  6.258                  0.321
 RC180  Fr= 1--      -0.490                 -0.922                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00  -0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.01    -0.03  -0.03   0.04     0.00   0.00  -0.00
     9   1    -0.07   0.02  -0.09     0.09  -0.02   0.12    -0.08   0.02  -0.10
    10   1    -0.01  -0.03   0.00     0.01   0.05  -0.01     0.01   0.03  -0.00
    11   1     0.00   0.00  -0.01    -0.01  -0.01   0.08     0.01   0.01  -0.06
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    13   1    -0.00  -0.01  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    14   1     0.01   0.04   0.03    -0.06  -0.34  -0.26     0.01   0.06   0.05
    15   6     0.02  -0.06  -0.03     0.01  -0.02  -0.01     0.02  -0.05  -0.02
    16   6    -0.02   0.05   0.03    -0.00   0.01  -0.00     0.02  -0.06  -0.03
    17   1     0.05  -0.05  -0.01    -0.11   0.09   0.02    -0.01   0.01   0.00
    18   1     0.06   0.00   0.05    -0.25  -0.01  -0.19    -0.00   0.00  -0.00
    19   1    -0.15  -0.10   0.07     0.58   0.40  -0.29    -0.02  -0.01   0.01
    20   1    -0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    21   1     0.08   0.53   0.03     0.02   0.14   0.01     0.07   0.49   0.02
    22   1    -0.31   0.16   0.29    -0.12   0.06   0.11    -0.28   0.15   0.27
    23   1    -0.01   0.03  -0.02     0.01  -0.02   0.05     0.01  -0.03   0.03
    24   1     0.32  -0.16  -0.30     0.01  -0.00  -0.01    -0.35   0.17   0.33
    25   1    -0.05  -0.45  -0.02    -0.01  -0.13  -0.01     0.06   0.53   0.02
    26   1     0.00   0.00  -0.00     0.02   0.03  -0.04     0.03   0.02  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.0770              3106.8518              3124.0599
 Red. masses --      1.0982                 1.0993                 1.0949
 Frc consts  --      6.1464                 6.2516                 6.2962
 IR Inten    --     40.9448                30.7331                20.9817
 RamAct Fr= 1--    102.4214                29.5125                47.1186
  Dep-P Fr= 1--      0.7261                 0.6915                 0.5403
  Dep-U Fr= 1--      0.8413                 0.8176                 0.7016
 Alpha2 Fr= 1--      0.0420                 0.0302                 0.1900
 Beta2  Fr= 1--     14.3615                 4.0217                 5.5095
 AlphaG Fr= 1--      0.2887                 0.0269                 0.0380
 Gamma2 Fr= 1--    -15.9458                 6.0996                -7.3865
 Delta2 Fr= 1--    -26.3720                 6.9007                -0.8818
 Raman1 Fr= 1--     409.686                118.050                188.475
 ROA1   Fr= 1--   -2374.703                806.383               -737.322
 CID1   Fr= 1--      -5.796                  6.831                 -3.912
 Raman2 Fr= 1--     172.338                 48.260                 66.114
 ROA2   Fr= 1--    -171.724                 91.184               -170.222
 CID2   Fr= 1--      -0.996                  1.889                 -2.575
 Raman3 Fr= 1--     344.675                 96.520                132.228
 ROA3   Fr= 1--   -2374.703                806.383               -737.322
 CID3   Fr= 1--      -6.890                  8.355                 -5.576
 RC180  Fr= 1--       0.683                  0.635                  0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.01  -0.01     0.03   0.01   0.01     0.00   0.00   0.00
     9   1     0.44  -0.11   0.58     0.01  -0.00   0.02     0.00  -0.00   0.00
    10   1    -0.06  -0.27   0.04    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    11   1    -0.08  -0.05   0.44    -0.00  -0.00   0.02    -0.01  -0.01   0.06
    12   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   1     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    14   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.02
    16   6     0.00  -0.01   0.00     0.00   0.04  -0.07     0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.08   0.00   0.06    -0.18  -0.00  -0.15    -0.03  -0.00  -0.03
    19   1    -0.11  -0.07   0.05    -0.16  -0.11   0.09    -0.00  -0.00   0.00
    20   1    -0.03  -0.01  -0.01     0.03   0.00   0.01     0.87   0.16   0.34
    21   1     0.02   0.09   0.00    -0.00  -0.01   0.00     0.01   0.20   0.01
    22   1    -0.07   0.04   0.07     0.00  -0.00  -0.00     0.13  -0.09  -0.15
    23   1    -0.01   0.01  -0.04     0.17  -0.34   0.79    -0.01   0.01  -0.03
    24   1    -0.03   0.01   0.03    -0.16   0.09   0.13     0.01  -0.01  -0.01
    25   1     0.01   0.07   0.00    -0.02  -0.27  -0.03     0.00   0.01   0.00
    26   1    -0.18  -0.17   0.20    -0.01  -0.01   0.02    -0.01  -0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3130.9059              3132.5168              3208.6358
 Red. masses --      1.0594                 1.0991                 1.1156
 Frc consts  --      6.1187                 6.3542                 6.7668
 IR Inten    --     13.5339                35.1908                14.7400
 RamAct Fr= 1--    126.0389               141.8405                92.0774
  Dep-P Fr= 1--      0.0942                 0.4040                 0.7495
  Dep-U Fr= 1--      0.1723                 0.5755                 0.8568
 Alpha2 Fr= 1--      2.2380                 1.0357                 0.0007
 Beta2  Fr= 1--      3.6184                13.6046                13.1492
 AlphaG Fr= 1--      0.0370                 0.0966                 0.0195
 Gamma2 Fr= 1--      7.3370               -10.1667                 2.5632
 Delta2 Fr= 1--      3.1136                -7.4790                 4.5424
 Raman1 Fr= 1--     504.156                567.362                368.309
 ROA1   Fr= 1--     803.992              -1215.332                391.426
 CID1   Fr= 1--       1.595                 -2.142                  1.063
 Raman2 Fr= 1--      43.421                163.256                157.790
 ROA2   Fr= 1--     151.180               -184.169                 25.179
 CID2   Fr= 1--       3.482                 -1.128                  0.160
 Raman3 Fr= 1--      86.842                326.511                315.581
 ROA3   Fr= 1--     803.992              -1215.332                391.426
 CID3   Fr= 1--       9.258                 -3.722                  1.240
 RC180  Fr= 1--      -0.655                  0.151                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.04   0.05  -0.00     0.00  -0.00   0.00    -0.06  -0.05  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.08  -0.02  -0.03    -0.00  -0.00   0.00
     9   1     0.02  -0.00   0.03    -0.01   0.00  -0.01     0.01   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    12   1     0.64   0.03   0.34    -0.07  -0.00  -0.03     0.60   0.01   0.31
    13   1    -0.18  -0.57  -0.32     0.02   0.06   0.03     0.17   0.62   0.34
    14   1    -0.00  -0.02  -0.02     0.01   0.05   0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    17   1     0.00  -0.00  -0.00     0.04  -0.03  -0.01    -0.00   0.00   0.00
    18   1     0.06   0.00   0.05     0.67   0.02   0.55     0.00   0.00   0.00
    19   1     0.03   0.02  -0.02     0.26   0.19  -0.15     0.00   0.00  -0.00
    20   1    -0.01  -0.00  -0.00     0.05   0.01   0.02    -0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   1     0.01  -0.01   0.03     0.05  -0.11   0.26     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.00    -0.04   0.02   0.03    -0.00   0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01     0.00   0.00   0.00
    26   1     0.01   0.01  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   944.331911390.196371562.83469
           X            0.99966   0.02350   0.01099
           Y           -0.02339   0.99967  -0.01059
           Z           -0.01124   0.01033   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09172     0.06230     0.05542
 Rotational constants (GHZ):           1.91113     1.29819     1.15479
 Zero-point vibrational energy     619879.3 (Joules/Mol)
                                  148.15471 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.82   239.68   274.86   303.57   332.68
          (Kelvin)            428.44   516.70   554.20   567.20   604.34
                              656.32   691.04   768.41   886.30   934.66
                             1056.77  1118.88  1150.33  1199.73  1243.57
                             1284.47  1308.85  1322.86  1354.07  1376.84
                             1396.23  1428.03  1456.48  1486.20  1534.58
                             1554.54  1587.02  1629.07  1685.62  1747.80
                             1763.37  1772.08  1791.24  1819.60  1854.42
                             1860.89  1895.74  1909.30  1942.24  1976.69
                             2022.22  2048.38  2096.03  2127.04  2136.81
                             2139.47  2161.93  2165.66  2180.44  2191.93
                             2462.21  4350.53  4355.45  4358.81  4370.92
                             4393.95  4408.85  4412.02  4422.79  4424.26
                             4431.79  4434.42  4470.07  4494.83  4504.68
                             4506.99  4616.51
 
 Zero-point correction=                           0.236100 (Hartree/Particle)
 Thermal correction to Energy=                    0.245687
 Thermal correction to Enthalpy=                  0.246631
 Thermal correction to Gibbs Free Energy=         0.202543
 Sum of electronic and zero-point Energies=           -390.609186
 Sum of electronic and thermal Energies=              -390.599599
 Sum of electronic and thermal Enthalpies=            -390.598655
 Sum of electronic and thermal Free Energies=         -390.642743
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  154.171             39.692             92.792
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.108
 Vibrational            152.394             33.730             23.047
 Vibration     1          0.606              1.944              3.324
 Vibration     2          0.624              1.884              2.474
 Vibration     3          0.634              1.852              2.218
 Vibration     4          0.643              1.824              2.035
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.691              1.678              1.429
 Vibration     7          0.734              1.556              1.126
 Vibration     8          0.754              1.502              1.019
 Vibration     9          0.761              1.483              0.984
 Vibration    10          0.783              1.427              0.892
 Vibration    11          0.814              1.347              0.777
 Vibration    12          0.837              1.294              0.709
 Vibration    13          0.889              1.175              0.578
 Vibration    14          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.686932D-93        -93.163087       -214.515934
 Total V=0       0.272318D+16         15.435076         35.540576
 Vib (Bot)       0.214610-106       -106.668351       -245.612954
 Vib (Bot)    1  0.191691D+01          0.282602          0.650715
 Vib (Bot)    2  0.121108D+01          0.083172          0.191510
 Vib (Bot)    3  0.104727D+01          0.020059          0.046187
 Vib (Bot)    4  0.940963D+00         -0.026427         -0.060851
 Vib (Bot)    5  0.851348D+00         -0.069893         -0.160934
 Vib (Bot)    6  0.639440D+00         -0.194200         -0.447163
 Vib (Bot)    7  0.510674D+00         -0.291857         -0.672024
 Vib (Bot)    8  0.467690D+00         -0.330042         -0.759950
 Vib (Bot)    9  0.454024D+00         -0.342921         -0.789605
 Vib (Bot)   10  0.418024D+00         -0.378799         -0.872216
 Vib (Bot)   11  0.374048D+00         -0.427073         -0.983372
 Vib (Bot)   12  0.348128D+00         -0.458261         -1.055184
 Vib (Bot)   13  0.298314D+00         -0.525326         -1.209608
 Vib (Bot)   14  0.238398D+00         -0.622697         -1.433813
 Vib (V=0)       0.850770D+02          1.929812          4.443556
 Vib (V=0)    1  0.248105D+01          0.394635          0.908681
 Vib (V=0)    2  0.181023D+01          0.257734          0.593455
 Vib (V=0)    3  0.166051D+01          0.220241          0.507123
 Vib (V=0)    4  0.156556D+01          0.194669          0.448242
 Vib (V=0)    5  0.148732D+01          0.172403          0.396973
 Vib (V=0)    6  0.131172D+01          0.117840          0.271336
 Vib (V=0)    7  0.121469D+01          0.084467          0.194492
 Vib (V=0)    8  0.118464D+01          0.073587          0.169440
 Vib (V=0)    9  0.117538D+01          0.070178          0.161591
 Vib (V=0)   10  0.115172D+01          0.061348          0.141260
 Vib (V=0)   11  0.112443D+01          0.050932          0.117275
 Vib (V=0)   12  0.110926D+01          0.045032          0.103690
 Vib (V=0)   13  0.108223D+01          0.034319          0.079023
 Vib (V=0)   14  0.105393D+01          0.022810          0.052522
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.512746D+06          5.709903         13.147536
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025159    0.000017921   -0.000012380
      2        6          -0.000023889   -0.000003420    0.000008741
      3        6          -0.000037515   -0.000049987    0.000003120
      4        6          -0.000004542    0.000002315   -0.000002472
      5        6           0.000012908   -0.000005662   -0.000013853
      6        6          -0.000024859   -0.000004144    0.000036309
      7        6           0.000031491   -0.000012247    0.000008470
      8        6          -0.000013169    0.000046462    0.000004426
      9        1           0.000002231    0.000002004    0.000003128
     10        1          -0.000000709   -0.000001605   -0.000001808
     11        1          -0.000000548    0.000006995   -0.000004807
     12        1           0.000000252    0.000000639   -0.000000238
     13        1           0.000003325   -0.000001877   -0.000000345
     14        1           0.000001029   -0.000001614   -0.000001692
     15        6          -0.000009989    0.000001984   -0.000007870
     16        6           0.000018141    0.000005119    0.000012653
     17        1           0.000002319    0.000002369    0.000000515
     18        1           0.000004113   -0.000005354   -0.000003459
     19        1           0.000003146    0.000000172    0.000000214
     20        1           0.000015423    0.000002963   -0.000003497
     21        1           0.000002986    0.000000913   -0.000006207
     22        1           0.000001583   -0.000001355   -0.000000782
     23        1           0.000005142   -0.000005839   -0.000003317
     24        1          -0.000004325    0.000001776   -0.000003870
     25        1          -0.000004694    0.000001216   -0.000004207
     26        1          -0.000005010    0.000000254   -0.000006772
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049987 RMS     0.000012927
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130749D+03 -0.781737D+01 -0.920286D-02
      2  -0.781737D+01  0.122549D+03  0.107689D+01
      3  -0.920286D-02  0.107689D+01  0.107001D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.382442D+01 -0.354162D+01  0.271378D+01
      2   0.712246D+01  0.211517D+01 -0.695219D+01
      3   0.107740D+02 -0.962960D+01 -0.600442D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.133753D+02 -0.306236D+02  0.446262D+01
      2   0.191328D+02 -0.881885D+01 -0.842431D+01
      3  -0.325081D+02  0.394424D+02  0.396168D+01
      4  -0.740037D+02  0.584131D+02  0.127494D+02
      5   0.604508D+01  0.188099D+02 -0.210082D+02
      6   0.949543D+01 -0.413632D+01 -0.577814D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.176714D+01 -0.213800D+01 -0.175646D+01 -0.114541D+01  0.148679D+01
      2  -0.213800D+01 -0.146939D+01  0.115327D+01  0.148679D+01 -0.377288D+01
      3  -0.175646D+01  0.115327D+01 -0.276237D+01  0.200671D+01  0.127388D+01
                 6             7             8             9            10 
      1   0.200671D+01 -0.322712D+01  0.214799D+01 -0.360271D+01 -0.574774D-01
      2   0.127388D+01  0.214799D+01  0.253440D+01 -0.109405D+01  0.248013D+01
      3  -0.187910D-01 -0.360271D+01 -0.109405D+01 -0.621838D+00  0.182980D+01
                11            12            13            14            15 
      1   0.248013D+01  0.182980D+01  0.211169D+01 -0.337023D+01 -0.185675D+00
      2  -0.345032D+01 -0.310104D-01 -0.337023D+01 -0.719128D+01  0.596735D+00
      3  -0.310104D-01  0.199834D+01 -0.185675D+00  0.596735D+00  0.963454D+00
                16            17            18            19            20 
      1   0.243326D+01  0.209049D+00  0.208140D+01 -0.130047D+02  0.976916D+01
      2   0.209049D+00  0.160281D+01 -0.178118D+00  0.976916D+01 -0.856202D+01
      3   0.208140D+01 -0.178118D+00 -0.588887D+01  0.354016D+01 -0.365268D+00
                21            22            23            24            25 
      1   0.354016D+01  0.960180D+01 -0.846141D+01 -0.208778D+01  0.187895D+00
      2  -0.365268D+00 -0.846141D+01  0.109815D+02 -0.232141D+01  0.381853D+00
      3  -0.209866D+01 -0.208778D+01 -0.232141D+01  0.307322D+01 -0.697478D+00
                26            27            28            29            30 
      1   0.381853D+00 -0.697478D+00  0.723243D+01 -0.697292D+01 -0.595663D+01
      2  -0.179896D+01  0.876528D+00 -0.697292D+01  0.814453D+01  0.228385D+01
      3   0.876528D+00 -0.966612D-01 -0.595663D+01  0.228385D+01  0.303495D+01
                31            32            33            34            35 
      1  -0.995355D+01  0.882936D+01  0.104870D+01 -0.654451D+01  0.127971D+01
      2   0.882936D+01 -0.919176D+01  0.408861D+01  0.127971D+01  0.496265D+01
      3   0.104870D+01  0.408861D+01 -0.298058D+01  0.352794D+01 -0.316454D+01
                36            37            38            39            40 
      1   0.352794D+01  0.117924D+02 -0.591990D+01 -0.420158D+01 -0.221014D+01
      2  -0.316454D+01 -0.591990D+01  0.405052D+01 -0.520578D+00  0.285191D+01
      3  -0.103608D+01 -0.420158D+01 -0.520578D+00  0.268499D+01 -0.819945D+00
                41            42            43            44            45 
      1   0.285191D+01 -0.819945D+00 -0.708258D+01  0.312317D+00  0.314069D+01
      2   0.838055D+00  0.556474D+01  0.312317D+00  0.507119D+01  0.109313D+01
      3   0.556474D+01  0.878257D+00  0.314069D+01  0.109313D+01 -0.120968D+01
                46            47            48            49            50 
      1  -0.421073D+01  0.323935D+01  0.616800D+01  0.427955D+01 -0.483720D+01
      2   0.323935D+01 -0.282571D+01  0.346993D-01 -0.483720D+01 -0.747447D+01
      3   0.616800D+01  0.346993D-01 -0.251118D+01 -0.346255D+00 -0.396839D+00
                51            52            53            54            55 
      1  -0.346255D+00  0.112717D+02 -0.201846D+01 -0.285129D+01  0.186677D+01
      2  -0.396839D+00 -0.201846D+01  0.109592D+01  0.241793D+01 -0.338569D+01
      3   0.195864D+01 -0.285129D+01  0.241793D+01 -0.739434D+00 -0.258449D+01
                56            57            58            59            60 
      1  -0.338569D+01 -0.258449D+01 -0.332887D+01  0.621432D+01  0.666043D-01
      2   0.580518D+01 -0.144869D+00  0.621432D+01  0.399659D+01 -0.231067D+01
      3  -0.144869D+00 -0.137023D+01  0.666043D-01 -0.231067D+01  0.166488D+01
                61            62            63            64            65 
      1  -0.267282D+01 -0.659668D+00 -0.163922D+01  0.105275D+00 -0.930021D+00
      2  -0.659668D+00 -0.302263D+01  0.468494D+00 -0.930021D+00 -0.399203D+01
      3  -0.163922D+01  0.468494D+00  0.484873D+01  0.416501D+01  0.266763D+01
                66            67            68            69            70 
      1   0.416501D+01  0.758045D+00 -0.419530D+01  0.311745D+01  0.372287D+01
      2   0.266763D+01 -0.419530D+01  0.398324D+01 -0.129020D+01  0.174991D+01
      3   0.175455D+01  0.311745D+01 -0.129020D+01 -0.268758D+01  0.151798D+01
                71            72            73            74            75 
      1   0.174991D+01  0.151798D+01  0.462259D+01  0.606500D+00  0.270380D+01
      2  -0.417679D+00 -0.220257D+01  0.606500D+00  0.118762D+01  0.412648D+00
      3  -0.220257D+01 -0.147198D+01  0.270380D+01  0.412648D+00  0.248416D+01
                76            77            78            79            80 
      1  -0.661943D+00  0.764898D+00 -0.549881D+00  0.376080D+01  0.234348D+00
      2   0.764898D+00 -0.712248D-01  0.601309D+00  0.234348D+00  0.603394D+00
      3  -0.549881D+00  0.601309D+00 -0.301318D+00  0.329630D+01  0.809341D+00
                81            82            83            84            85 
      1   0.329630D+01  0.939184D+00  0.151868D+01 -0.103686D+00  0.147676D+01
      2   0.809341D+00  0.151868D+01  0.182992D+01  0.187564D+00  0.214020D+01
      3   0.436217D+01 -0.103686D+00  0.187564D+00 -0.886274D-01  0.266130D+00
                86            87            88            89            90 
      1   0.214020D+01  0.266130D+00 -0.679383D+00 -0.237849D+00 -0.234399D-01
      2   0.124092D+02  0.796510D+00 -0.237849D+00 -0.133489D+01  0.126022D+01
      3   0.796510D+00  0.969313D+00 -0.234399D-01  0.126022D+01  0.488776D+00
                91            92            93            94            95 
      1  -0.801691D+00 -0.126166D+00  0.992417D+00 -0.403186D+00  0.230030D-01
      2  -0.126166D+00  0.782848D-01 -0.280104D+00  0.230030D-01  0.844522D+00
      3   0.992417D+00 -0.280104D+00 -0.124785D+01  0.322912D-01  0.101918D+01
                96            97            98            99           100 
      1   0.322912D-01  0.124840D+01 -0.555231D-01 -0.990676D+00  0.929436D+01
      2   0.101918D+01 -0.555231D-01  0.149524D+01  0.182303D+01 -0.236149D+01
      3  -0.107366D+00 -0.990676D+00  0.182303D+01  0.885467D+01  0.292414D+01
               101           102           103           104           105 
      1  -0.236149D+01  0.292414D+01 -0.751080D+00  0.161663D+01  0.476805D+00
      2   0.170413D+01 -0.861720D+00  0.161663D+01 -0.168118D+01 -0.250160D+00
      3  -0.861720D+00  0.150793D+01  0.476805D+00 -0.250160D+00  0.353347D-01
               106           107           108           109           110 
      1   0.506865D+01 -0.719777D+00  0.142700D+01  0.105920D+01 -0.120227D+01
      2  -0.719777D+00 -0.120900D+00 -0.129386D-01 -0.120227D+01 -0.829441D+00
      3   0.142700D+01 -0.129386D-01  0.110183D+01  0.191360D+00 -0.107882D+01
               111           112           113           114           115 
      1   0.191360D+00 -0.146302D+01  0.135258D+01  0.454756D+00  0.106450D+00
      2  -0.107882D+01  0.135258D+01 -0.824333D+01 -0.309600D+01 -0.155967D+00
      3  -0.609218D+00  0.454756D+00 -0.309600D+01 -0.191460D+01 -0.257478D+00
               116           117           118           119           120 
      1  -0.155967D+00 -0.257478D+00 -0.463783D+00 -0.108513D+01 -0.539201D+00
      2  -0.407380D+01 -0.158628D+01 -0.108513D+01 -0.831017D+00 -0.384620D+00
      3  -0.158628D+01 -0.126222D+01 -0.539201D+00 -0.384620D+00 -0.696034D+00
               121           122           123           124           125 
      1  -0.164071D+01 -0.565668D+00 -0.474970D+00  0.420074D-01 -0.468401D+00
      2  -0.565668D+00 -0.547067D+01 -0.340427D+01 -0.468401D+00 -0.262112D+01
      3  -0.474970D+00 -0.340427D+01 -0.293707D+01 -0.587451D+00 -0.275962D+01
               126           127           128           129           130 
      1  -0.587451D+00 -0.251074D+01 -0.160821D+01 -0.478251D+01 -0.195369D+01
      2  -0.275962D+01 -0.160821D+01  0.133824D+01  0.262898D+00  0.208798D+01
      3  -0.371016D+01 -0.478251D+01  0.262898D+00  0.232715D+01  0.605329D+00
               131           132           133           134           135 
      1   0.208798D+01  0.605329D+00 -0.476958D+01  0.542190D+00  0.227829D+01
      2   0.694533D+01 -0.783888D+00  0.542190D+00  0.169274D+00 -0.271806D+01
      3  -0.783888D+00 -0.304145D+01  0.227829D+01 -0.271806D+01 -0.110100D+00
               136           137           138           139           140 
      1  -0.181992D+00 -0.245197D+01 -0.435618D+01 -0.362281D+01  0.324901D+01
      2  -0.245197D+01  0.132310D+01  0.542742D-01  0.324901D+01  0.682531D+01
      3  -0.435618D+01  0.542742D-01  0.222505D+01  0.244331D+00  0.956625D+00
               141           142           143           144           145 
      1   0.244331D+00 -0.585069D+01  0.894933D+00  0.333705D+01 -0.628784D+01
      2   0.956625D+00  0.894933D+00  0.350875D+00 -0.262839D+01  0.435656D+01
      3  -0.293245D+01  0.333705D+01 -0.262839D+01  0.279265D+01  0.100342D+01
               146           147           148           149           150 
      1   0.435656D+01  0.100342D+01  0.340264D+01 -0.394306D+01 -0.228061D+00
      2  -0.453096D+01 -0.548386D+00 -0.394306D+01  0.544543D+01  0.926806D+00
      3  -0.548386D+00 -0.813383D+00 -0.228061D+00  0.926806D+00  0.704370D+00
               151           152           153           154           155 
      1   0.112576D+01 -0.416332D+00 -0.979628D+00 -0.452609D+01  0.820937D+00
      2  -0.416332D+00  0.111115D+01  0.126091D+01  0.820937D+00 -0.935773D+00
      3  -0.979628D+00  0.126091D+01  0.373787D+00 -0.328262D+01  0.578918D+00
               156           157           158           159           160 
      1  -0.328262D+01 -0.192286D+00 -0.506703D+00  0.686850D-01 -0.288674D+01
      2   0.578918D+00 -0.506703D+00  0.952796D-01 -0.821139D+00  0.554153D+00
      3  -0.384797D+01  0.686850D-01 -0.821139D+00  0.504420D+00 -0.335546D+01
               161           162           163           164           165 
      1   0.554153D+00 -0.335546D+01  0.311438D+01  0.203877D+01 -0.257419D+01
      2  -0.984890D+00  0.119595D+01  0.203877D+01  0.279722D+01 -0.212566D+01
      3   0.119595D+01 -0.557142D+01 -0.257419D+01 -0.212566D+01  0.296786D+01
               166           167           168           169           170 
      1   0.120186D+01  0.199049D+01 -0.126809D+01 -0.133087D+01 -0.112923D+01
      2   0.199049D+01  0.305577D+01 -0.215832D+01 -0.112923D+01 -0.151331D+01
      3  -0.126809D+01 -0.215832D+01  0.241374D+01  0.139684D+01  0.220704D+01
               171           172           173           174           175 
      1   0.139684D+01  0.524214D+01  0.634593D+00  0.183764D+01  0.815725D+00
      2   0.220704D+01  0.634593D+00  0.860690D+00 -0.243172D+00  0.514713D+00
      3  -0.347449D+01  0.183764D+01 -0.243172D+00  0.247883D+01 -0.101051D+00
               176           177           178           179           180 
      1   0.514713D+00 -0.101051D+00  0.172184D+01 -0.734419D-02  0.148703D+01
      2  -0.454461D+00  0.463950D+00 -0.734419D-02  0.366559D+00  0.236097D+00
      3   0.463950D+00  0.598032D+00  0.148703D+01  0.236097D+00  0.220693D+01
               181           182           183           184           185 
      1  -0.493248D+00 -0.102165D+01  0.766182D+00 -0.136306D+01 -0.179020D+01
      2  -0.102165D+01 -0.958094D+00  0.159805D+00 -0.179020D+01 -0.882865D+01
      3   0.766182D+00  0.159805D+00 -0.636830D+00  0.410300D+00  0.214773D+01
               186           187           188           189           190 
      1   0.410300D+00  0.277686D+00 -0.101264D+00 -0.457155D+00 -0.387063D+01
      2   0.214773D+01 -0.101264D+00  0.507492D-01 -0.812510D+00  0.560885D+00
      3  -0.174047D+01 -0.457155D+00 -0.812510D+00  0.372511D+00  0.355812D+01
               191           192           193           194           195 
      1   0.560885D+00  0.355812D+01  0.147192D+01 -0.101900D+01 -0.113856D+01
      2  -0.111906D+01 -0.228294D+00 -0.101900D+01  0.247244D+00  0.105257D+01
      3  -0.228294D+00 -0.408897D+01 -0.113856D+01  0.105257D+01  0.227738D+01
               196           197           198           199           200 
      1   0.269084D+01 -0.276181D+00 -0.325308D+01 -0.140979D+01  0.821216D+00
      2  -0.276181D+00  0.693980D+00  0.830525D+00  0.821216D+00 -0.370624D+00
      3  -0.325308D+01  0.830525D+00  0.580517D+01 -0.133028D+01  0.339944D+00
               201           202           203           204           205 
      1  -0.133028D+01  0.168034D+01 -0.695708D+00  0.545079D+00 -0.254448D+01
      2   0.339944D+00 -0.695708D+00  0.410893D+00 -0.122486D+01  0.682344D-01
      3  -0.174114D+01  0.545079D+00 -0.122486D+01  0.169133D+01 -0.271653D+01
               206           207           208           209           210 
      1   0.682344D-01 -0.271653D+01 -0.740293D+01  0.106917D+01  0.275665D+01
      2  -0.130808D+01  0.138220D+01  0.106917D+01 -0.950184D+00 -0.468304D+00
      3   0.138220D+01 -0.583636D+01  0.275665D+01 -0.468304D+00 -0.183227D+01
               211           212           213           214           215 
      1   0.305121D+01 -0.171082D+01 -0.798231D+00  0.551334D+01 -0.592814D+00
      2  -0.171082D+01  0.315069D+00  0.604927D+00 -0.592814D+00  0.920008D+00
      3  -0.798231D+00  0.604927D+00  0.108703D+01 -0.284625D+01  0.779634D+00
               216           217           218           219           220 
      1  -0.284625D+01 -0.124437D+01 -0.115403D+01  0.225900D+00 -0.308105D+01
      2   0.779634D+00 -0.115403D+01 -0.951808D+00 -0.100417D+00 -0.363175D+01
      3   0.235927D+01  0.225900D+00 -0.100417D+00 -0.230613D+00 -0.501702D+00
               221           222           223           224           225 
      1  -0.363175D+01 -0.501702D+00  0.380595D+00 -0.278025D+00 -0.894974D+00
      2  -0.840058D+01 -0.756433D+00 -0.278025D+00 -0.485917D+00 -0.821371D+00
      3  -0.756433D+00 -0.963198D+00 -0.894974D+00 -0.821371D+00 -0.489854D+00
               226           227           228           229           230 
      1   0.296439D+01  0.244149D+01 -0.119476D+01  0.191927D+01  0.160517D+01
      2   0.244149D+01  0.265700D+01 -0.754285D+00  0.160517D+01  0.438710D+01
      3  -0.119476D+01 -0.754285D+00  0.111153D+01 -0.842968D+00 -0.127937D+01
               231           232           233           234 
      1  -0.842968D+00 -0.196328D+01 -0.125785D+01  0.166232D+01
      2  -0.127937D+01 -0.125785D+01 -0.334604D+01  0.133742D+01
      3   0.805471D+00  0.166232D+01  0.133742D+01 -0.204735D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.199599D+01 -0.172787D+01  0.338745D+01  0.582033D+00 -0.293791D+01
      2  -0.665046D+01  0.766055D+01 -0.451027D+01  0.649028D+01  0.532066D+01
      3   0.865583D+01 -0.869489D+01 -0.761613D+01 -0.246323D+01  0.540517D+01
                 6             7             8             9            10 
      1  -0.134430D+01  0.364677D+01  0.968109D+01  0.233541D+01 -0.205794D+01
      2  -0.453658D+00 -0.101677D+02 -0.623138D+01 -0.989407D-01  0.214487D+01
      3  -0.177561D+01 -0.103303D+02 -0.282452D+01 -0.296915D+01 -0.905340D+00
                11            12            13            14            15 
      1  -0.331760D+01 -0.450216D+01 -0.301115D+01 -0.114824D+02 -0.415600D+01
      2  -0.241306D+01  0.271414D+00 -0.344431D+01  0.234006D+01  0.783783D+00
      3   0.762617D+01  0.511899D+01  0.122311D+02 -0.502567D+01 -0.329104D+00
                16            17            18            19            20 
      1  -0.546940D+01  0.561548D+01  0.157298D+02 -0.194715D+01  0.266542D+01
      2  -0.502787D+01  0.632773D+00 -0.559953D+01  0.245353D+01  0.701967D+01
      3   0.666235D+01  0.494121D+00  0.364172D+01  0.331882D+01 -0.108032D+01
                21            22            23            24            25 
      1  -0.674559D+01 -0.192833D+01 -0.976114D+01  0.777104D+01 -0.815155D+01
      2  -0.549231D+01  0.206835D+01 -0.750208D+01  0.879184D+01 -0.129997D+02
      3  -0.538631D+01  0.110630D+02 -0.172200D+02  0.854300D+01  0.103474D+01
                26            27            28            29            30 
      1   0.133978D+02  0.215445D+01 -0.882279D+01 -0.813418D+00  0.606368D+01
      2   0.723790D+01 -0.265976D+01 -0.843661D+01  0.358289D+01  0.791972D+01
      3   0.291149D+01 -0.217744D+00  0.871724D+01 -0.145697D+02  0.460677D+01
                31            32            33            34            35 
      1  -0.321017D+01  0.117832D+02 -0.934870D+01  0.186607D+01 -0.197528D+00
      2  -0.196499D+01  0.155200D+02 -0.887239D+01 -0.149579D+01 -0.426864D+01
      3  -0.223356D+00  0.518214D+01 -0.127742D+02  0.899021D+01 -0.164420D+02
                36            37            38            39            40 
      1   0.286484D+01 -0.140071D+01 -0.185724D+01  0.299136D+01 -0.452896D+01
      2  -0.248437D+01  0.103046D+02 -0.739888D+01 -0.207858D+01 -0.282858D+01
      3   0.206509D+01 -0.180269D+01 -0.996023D+00  0.193899D+01  0.860324D+01
                41            42            43            44            45 
      1   0.801555D+01 -0.986868D+01  0.691009D+01 -0.438701D+01 -0.259001D+01
      2   0.350194D+01 -0.195853D+01 -0.160884D+02  0.488276D+01  0.396621D+01
      3  -0.410202D+01 -0.201088D+01  0.318750D+01  0.759166D+00 -0.247599D+01
                46            47            48            49            50 
      1   0.420343D+01 -0.599830D+00 -0.190291D+01 -0.206224D+01 -0.457518D+01
      2  -0.134107D+02  0.108242D+01  0.927752D+01  0.296166D+01 -0.952351D+00
      3   0.420767D+01 -0.107262D+02 -0.212592D+01 -0.126994D+01 -0.144081D+02
                51            52            53            54            55 
      1  -0.162928D+01 -0.401050D+01  0.819218D+01  0.928365D+00  0.374281D+01
      2  -0.375422D+01  0.326908D+01 -0.759230D+01  0.386404D+01  0.252509D+01
      3  -0.125941D+01 -0.537245D+01  0.831253D+00  0.781789D+01 -0.275262D+01
                56            57            58            59            60 
      1   0.166137D+01  0.531565D+01  0.248703D+01  0.481513D+01 -0.515665D+01
      2   0.254382D+01  0.416407D+01  0.143955D+01  0.189833D+01 -0.138804D+01
      3  -0.473669D+01 -0.431232D+01  0.333028D+01  0.141096D+02 -0.202722D+01
                61            62            63            64            65 
      1   0.326442D+01  0.213679D+01 -0.117018D+02 -0.190388D+01  0.383648D+01
      2  -0.173255D+01 -0.245581D+01 -0.568503D+01 -0.193904D+01 -0.573009D+01
      3  -0.573827D+01 -0.387012D+01 -0.357106D+01  0.654184D+00 -0.729523D+01
                66            67            68            69            70 
      1  -0.104788D+02  0.681590D+01 -0.870057D+01  0.423822D+01 -0.748276D+01
      2   0.120582D+02 -0.285622D+01 -0.706478D+01  0.899028D+01  0.398659D+01
      3   0.765849D+01 -0.936944D+00 -0.138966D+01  0.337072D+01  0.514476D+01
                71            72            73            74            75 
      1   0.787009D+01  0.884326D+01 -0.313234D+01  0.675791D+00 -0.298302D+01
      2   0.676335D+01  0.697483D+01  0.264762D+01  0.126059D+01  0.613000D+01
      3   0.173521D+01  0.196556D+01  0.401181D+01 -0.363189D+01  0.259582D+01
                76            77            78            79            80 
      1   0.384180D+00 -0.626355D-01 -0.648271D-01 -0.334291D+01  0.133252D+01
      2  -0.640665D+00  0.628389D+00 -0.826717D+00  0.315377D+01  0.203327D+01
      3  -0.482711D+00  0.227410D+01 -0.139522D+01  0.468902D+01 -0.246293D+01
                81            82            83            84            85 
      1  -0.469222D+01  0.177130D+01  0.195609D+01  0.756868D-01  0.126781D+01
      2   0.915670D+01 -0.101341D+01 -0.117739D+01  0.148424D+01 -0.163636D+01
      3   0.267002D+01  0.200440D+01  0.342182D+00 -0.648922D+00  0.561953D+01
                86            87            88            89            90 
      1   0.101564D+02 -0.469632D+01  0.107940D+00 -0.243352D+01  0.207259D+00
      2  -0.150428D+01  0.777730D+00 -0.589020D-01  0.560771D+00  0.202860D+00
      3  -0.299710D+01  0.396739D+00 -0.192496D+01  0.435685D+00 -0.647107D+00
                91            92            93            94            95 
      1  -0.250232D+01 -0.377381D+00  0.286882D+01 -0.578207D+00 -0.134633D+01
      2   0.150398D+01  0.435071D+00 -0.734295D+00  0.105767D+01  0.600728D+00
      3  -0.224425D+01 -0.217529D+01  0.189793D+01 -0.653681D+00  0.788173D+00
                96            97            98            99           100 
      1   0.136525D+01  0.259062D+01  0.147500D+01 -0.186141D+02  0.738734D+01
      2  -0.477584D+00 -0.541217D+01  0.833513D+00  0.583030D+01  0.104574D+02
      3  -0.567228D+00  0.355156D+01 -0.699392D+00 -0.238774D+01 -0.110326D+02
               101           102           103           104           105 
      1  -0.100738D+01  0.349108D+01  0.392957D+00  0.289862D+00 -0.131028D+00
      2  -0.486958D+01  0.834451D+01  0.139819D+01 -0.139527D+01  0.481011D+00
      3  -0.321223D+01 -0.354706D+01 -0.162669D+01  0.113801D+01 -0.123804D+00
               106           107           108           109           110 
      1   0.328262D+01  0.811276D+00  0.164234D+01  0.211160D+01 -0.200194D+01
      2   0.229285D+01  0.226376D+01  0.521643D+01 -0.216430D+00 -0.276907D+01
      3  -0.878953D+01  0.117212D+01 -0.189163D+01  0.266584D+01  0.347478D+01
               111           112           113           114           115 
      1  -0.182479D+01  0.166627D+01 -0.284536D+01 -0.563215D+01 -0.221618D+01
      2  -0.900192D+00 -0.125932D+01 -0.729791D+01 -0.402540D+01 -0.857656D+00
      3   0.252100D+01  0.226799D+01  0.192970D+02  0.777892D+01  0.108934D+01
               116           117           118           119           120 
      1   0.134005D+01 -0.341014D+01  0.942568D+00  0.616882D+00 -0.358893D-01
      2  -0.502144D+01 -0.237436D+01 -0.465254D+00 -0.852634D+00  0.787937D+00
      3   0.120641D+02  0.412203D+01 -0.856430D-01 -0.615006D+00  0.562789D-01
               121           122           123           124           125 
      1  -0.193955D+00  0.597323D+01 -0.105379D+01 -0.168811D-01  0.329450D+01
      2  -0.298986D+01 -0.264702D+00  0.324332D+00 -0.251273D+01 -0.468150D+00
      3   0.491067D+01 -0.378820D-01  0.120783D+00  0.118993D+01  0.115222D-01
               126           127           128           129           130 
      1  -0.757822D+00 -0.922102D+01  0.267902D+01  0.314555D+01  0.578902D+01
      2  -0.273992D+00  0.133121D+02  0.129942D+01  0.104865D+02  0.238072D+01
      3   0.184127D+00  0.215148D+01  0.130211D+01  0.684886D+01  0.624051D+01
               131           132           133           134           135 
      1   0.154878D+02 -0.926346D+01  0.347063D+01 -0.543735D+00 -0.660831D+01
      2  -0.229146D+01  0.278070D+01  0.518576D+01  0.292198D+01 -0.414374D+01
      3   0.723962D+01 -0.985049D+00  0.672020D+01  0.405507D-01 -0.589576D+01
               136           137           138           139           140 
      1  -0.224226D+01 -0.212574D+00  0.280366D+01 -0.146767D+01 -0.158624D+01
      2   0.121618D+02 -0.186700D+01 -0.822049D+01 -0.248972D+01 -0.191329D+01
      3  -0.849035D+01  0.545858D+01  0.350409D+01  0.151733D+02  0.206098D+02
               141           142           143           144           145 
      1  -0.544069D+01  0.415850D+01 -0.757842D+00  0.405602D+01 -0.173447D+01
      2   0.936326D+01 -0.191311D+02  0.909575D+01 -0.106842D+02  0.534812D-02
      3   0.358277D+01  0.377879D+01  0.276518D+01 -0.120749D+02 -0.769555D+01
               146           147           148           149           150 
      1   0.307115D+00  0.308038D+01  0.399161D+00 -0.140655D+01 -0.404722D+01
      2   0.517750D+00  0.348771D+01 -0.489661D+00 -0.527348D+00 -0.226478D+01
      3  -0.623279D+00  0.991994D+00  0.472380D+01  0.979665D-01  0.208676D+00
               151           152           153           154           155 
      1   0.195034D+01 -0.827362D+00 -0.646680D+00  0.298761D+01  0.281693D+01
      2  -0.195557D+00 -0.129366D+01 -0.559851D+00 -0.983465D+01  0.522653D+00
      3   0.177930D+01  0.935680D+00 -0.330323D+00 -0.584165D+01 -0.173435D+01
               156           157           158           159           160 
      1   0.425929D+01  0.126286D+01  0.137813D+01 -0.368547D+00  0.340789D+01
      2  -0.284670D+01 -0.399259D+00 -0.712563D+00 -0.866409D+00 -0.660174D+01
      3  -0.343636D+01  0.930929D+00 -0.122148D+00 -0.508162D+00 -0.331462D+01
               161           162           163           164           165 
      1   0.245473D+01  0.376231D+01 -0.161668D+01 -0.485082D+01 -0.402519D+00
      2  -0.110276D+00 -0.256021D+01  0.993642D+01  0.515583D+01 -0.426084D+01
      3  -0.114392D+01 -0.323972D+01  0.610537D+01  0.183698D+01 -0.359695D+01
               166           167           168           169           170 
      1  -0.247786D+01 -0.412834D+01 -0.117674D+01  0.218268D+00  0.233906D+01
      2   0.452390D+01  0.510027D+01 -0.323116D+01 -0.476962D+01 -0.327875D+01
      3   0.454123D+01  0.218577D+01 -0.236772D+01 -0.283153D+01 -0.619843D+00
               171           172           173           174           175 
      1   0.167535D+00  0.423877D+01  0.324827D+01  0.197270D+01  0.225629D+01
      2   0.329597D+01 -0.178563D+02 -0.173364D+01 -0.389762D+01 -0.211071D+01
      3   0.255316D+01 -0.725345D+01 -0.221396D+01 -0.256883D+01  0.601432D+00
               176           177           178           179           180 
      1   0.521926D+00  0.598978D+00  0.221216D+01  0.219643D+01  0.260325D+01
      2  -0.179349D+01 -0.601710D+00 -0.694815D+01 -0.653101D+00 -0.404842D+01
      3  -0.100655D+01  0.871905D-01 -0.248485D+01 -0.806473D+00 -0.157513D+01
               181           182           183           184           185 
      1  -0.116334D+01 -0.182890D+01 -0.725023D+00 -0.318107D+01 -0.166959D+02
      2  -0.642174D+00  0.122882D+01  0.462947D+00  0.268893D+01 -0.221857D+00
      3  -0.110819D+01 -0.876091D+00 -0.686799D-01  0.301418D+01 -0.911543D+01
               186           187           188           189           190 
      1  -0.119465D+01 -0.575035D+00  0.502606D+00 -0.143158D+01  0.534837D+01
      2   0.190735D+01 -0.942133D+00  0.392444D+00  0.581052D+00  0.430010D+01
      3   0.225156D+01 -0.184977D+00 -0.251564D+00 -0.199123D+00  0.386645D+01
               191           192           193           194           195 
      1  -0.406948D+01 -0.496822D+01 -0.308443D+01  0.217718D+01  0.340227D+01
      2  -0.115451D+01  0.658566D-01 -0.227118D+01  0.222548D+00 -0.131328D+01
      3  -0.366259D+01 -0.357266D+01 -0.154869D+01  0.141885D+01  0.206759D+01
               196           197           198           199           200 
      1  -0.429298D+01  0.467114D+01  0.766781D+01 -0.169998D+01  0.815637D+00
      2  -0.488944D+01 -0.774962D-01 -0.941436D+00  0.331749D+01 -0.165241D+00
      3  -0.300807D+01  0.231176D+01  0.393718D+01  0.310570D+01 -0.207796D+01
               201           202           203           204           205 
      1  -0.110480D+01  0.458278D+00 -0.179033D+01  0.148230D+01 -0.142786D+01
      2   0.517450D+01  0.551354D+00  0.376304D+01 -0.635963D+01  0.321144D+01
      3   0.173139D+01 -0.125864D+01  0.234374D+01 -0.429191D+01  0.120515D+01
               206           207           208           209           210 
      1   0.453609D+01 -0.534056D+01  0.184789D+01 -0.851446D+00 -0.939904D+00
      2  -0.546725D+01  0.182318D+02 -0.990418D+01  0.173037D+01  0.964229D+01
      3  -0.563781D+01  0.662196D+01  0.846084D+01 -0.644628D+01 -0.313599D+01
               211           212           213           214           215 
      1  -0.211639D+00  0.834654D+00 -0.311475D+00 -0.178794D+01  0.171885D+01
      2   0.286688D+01 -0.235401D+01 -0.443344D+01  0.821227D+01 -0.300334D+01
      3  -0.483402D+01  0.229713D+01  0.216360D+01 -0.434856D+01  0.449754D+01
               216           217           218           219           220 
      1   0.980740D+00  0.586111D+00  0.363471D+00 -0.488422D+00  0.481265D+00
      2  -0.913307D+01 -0.794596D+00 -0.293761D-01  0.196065D+01  0.308427D+00
      3   0.437273D+01 -0.308888D+01 -0.374230D+01 -0.636759D+00 -0.484331D+01
               221           222           223           224           225 
      1   0.285356D+01 -0.365005D+01 -0.509476D+00  0.408183D+00 -0.357662D+00
      2   0.106839D+01  0.360615D+01  0.174813D+01  0.165540D+01  0.123105D+01
      3  -0.243032D+02 -0.183032D+01 -0.107667D+01 -0.167255D+01 -0.158188D+01
               226           227           228           229           230 
      1   0.228112D+01  0.187341D+01 -0.235330D+01  0.168888D+01  0.248705D+01
      2  -0.390273D+01 -0.333431D+01  0.472558D+01 -0.335507D+01 -0.416892D+01
      3  -0.171264D+01 -0.221826D+01  0.647309D+00  0.226353D+01 -0.856974D+01
               231           232           233           234 
      1  -0.382582D+01 -0.171465D+01 -0.353913D+01  0.274241D+01
      2   0.302052D+01  0.339773D+01  0.455830D+01 -0.729911D+01
      3   0.166905D+01  0.381964D+00  0.546574D+01 -0.894242D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.719931D+01 -0.108156D+02 -0.659009D+01 -0.358635D+01  0.240394D-02
      2   0.632957D+01  0.677686D+01  0.927215D+01  0.133760D+01  0.162796D+01
      3   0.869743D+00  0.403874D+01 -0.268206D+01  0.224875D+01 -0.163036D+01
      4  -0.805480D+01 -0.184212D+02  0.310063D+01 -0.301331D+01 -0.222856D+02
      5  -0.948638D+01  0.709029D+00 -0.176159D+02  0.757297D+01  0.485330D+01
      6  -0.185587D+01  0.796615D+01 -0.278928D+01  0.508290D+01  0.434588D+01
                 6             7             8             9            10 
      1   0.846770D+01 -0.820343D+01  0.852078D+01 -0.142817D+02 -0.681733D+01
      2  -0.298520D+01  0.122420D+02 -0.351021D+00  0.119297D+02  0.625414D+01
      3  -0.548250D+01 -0.403859D+01 -0.816976D+01  0.235196D+01  0.563192D+00
      4   0.832382D+01  0.845917D+01  0.178167D+02 -0.122024D+02 -0.451041D+00
      5   0.123005D+01 -0.221062D+02 -0.559733D+01 -0.898955D+01  0.237010D+01
      6  -0.251632D+01 -0.631393D+01 -0.673736D+01  0.333792D+00  0.841982D+01
                11            12            13            14            15 
      1   0.990463D+01 -0.143836D+01  0.133742D+02  0.229892D+02 -0.314174D+01
      2  -0.142323D+02 -0.500257D+00 -0.161588D+02 -0.473822D+02  0.991440D+00
      3   0.432768D+01  0.193862D+01  0.278454D+01  0.243930D+02  0.215030D+01
      4  -0.187559D+01  0.249964D+01  0.180619D+01 -0.150189D+02 -0.744145D+00
      5   0.145088D+01  0.136326D+01  0.117887D+01 -0.369325D+01  0.691977D+00
      6  -0.191207D+01  0.754449D+01 -0.361207D+01 -0.353219D+01  0.404628D+01
                16            17            18            19            20 
      1  -0.212893D+01 -0.452714D+01  0.160746D+02 -0.187194D+02  0.938602D+01
      2  -0.304528D+01  0.118995D+02  0.905832D+01 -0.601485D+01  0.124311D+02
      3   0.517421D+01 -0.737236D+01 -0.251329D+02  0.247343D+02 -0.218172D+02
      4   0.281652D+01 -0.145026D+01  0.440166D+01  0.564065D+02 -0.416067D+02
      5   0.434400D+01  0.103709D+01  0.320417D+01  0.243875D+02 -0.743165D+01
      6   0.673919D+01  0.168039D+01 -0.184691D+02 -0.110699D+02  0.129272D+01
                21            22            23            24            25 
      1   0.140023D+02  0.238459D+02 -0.178781D+02 -0.121406D+02 -0.118675D+01
      2  -0.102835D+02 -0.345737D+01 -0.909037D+01  0.173909D+02 -0.103693D+01
      3  -0.371878D+01 -0.203885D+02  0.269685D+02 -0.525026D+01  0.222368D+01
      4  -0.792819D+01 -0.498277D+02  0.627780D+02 -0.952462D+00 -0.392744D+01
      5  -0.113756D+02 -0.206950D+02  0.342299D+01  0.183729D+02  0.977605D+01
      6   0.114997D+02  0.738544D+01  0.340986D+01 -0.711489D+01  0.491855D+00
                26            27            28            29            30 
      1  -0.308156D+01 -0.350972D+01  0.750010D+01 -0.109770D+02 -0.247293D+02
      2   0.639578D+01 -0.876807D+01  0.458037D+01 -0.928964D+01  0.172805D+02
      3  -0.331422D+01  0.122778D+02 -0.120805D+02  0.202666D+02  0.744881D+01
      4  -0.439605D+01  0.839283D+01 -0.377172D+02  0.474292D+02  0.205704D+02
      5   0.149526D+01 -0.493151D+01 -0.448327D+02  0.174308D+02  0.203339D+02
      6   0.692359D+01 -0.116241D+01  0.218734D+02 -0.120365D+02 -0.107328D+02
                31            32            33            34            35 
      1  -0.164699D+02  0.202890D+02  0.187185D+02 -0.368558D+02  0.251467D+02
      2  -0.852561D+01  0.740812D+01 -0.243490D+02  0.247606D+02 -0.301278D+02
      3   0.249955D+02 -0.276971D+02  0.563047D+01  0.120952D+02  0.498104D+01
      4   0.548092D+02 -0.534385D+02  0.941479D+01  0.165659D+02  0.118609D+02
      5   0.102681D+02  0.105163D+02 -0.144961D+02  0.250547D+02 -0.185594D+02
      6  -0.505806D+01 -0.216791D+02  0.911701D+01 -0.145304D+02  0.140985D+02
                36            37            38            39            40 
      1   0.329745D+01  0.503321D+01 -0.609821D+01  0.232840D+01 -0.102613D+02
      2  -0.530951D+01  0.460561D+01 -0.444111D+00 -0.485626D+01 -0.491595D+00
      3   0.201206D+01 -0.963882D+01  0.654232D+01  0.252786D+01  0.107529D+02
      4  -0.175374D+02 -0.324177D+02  0.124476D+02  0.527444D+01  0.584361D+01
      5  -0.121271D+02 -0.458824D+01  0.428983D+00  0.221257D+00  0.354282D+01
      6  -0.127458D+01  0.485189D+01 -0.790934D+01 -0.433535D+01 -0.854519D+01
                41            42            43            44            45 
      1   0.253696D+02  0.752706D+01  0.149236D+02  0.418267D+01  0.441772D+01
      2  -0.617061D+01 -0.352321D+01 -0.930977D+01 -0.659281D+01 -0.513837D+00
      3  -0.191989D+02 -0.400385D+01 -0.561384D+01  0.241014D+01 -0.390388D+01
      4  -0.101027D+02 -0.209430D+01  0.126818D+02 -0.521005D+01 -0.680598D+01
      5  -0.618012D+01  0.197960D+01 -0.580137D+01  0.367382D+01 -0.175331D+01
      6  -0.275649D+01 -0.200410D+02 -0.193670D+01 -0.169640D+02 -0.126341D+01
                46            47            48            49            50 
      1  -0.143242D+02 -0.599870D+01 -0.139521D+02 -0.311753D+01  0.126764D+01
      2   0.918330D+00  0.366150D+01  0.116330D+02  0.632776D+01 -0.464551D+00
      3   0.134059D+02  0.233719D+01  0.231905D+01 -0.321022D+01 -0.803086D+00
      4   0.190130D+01  0.334497D+01 -0.915653D+01  0.527016D+00  0.210609D+02
      5  -0.144620D+02 -0.122320D+01  0.861504D+01 -0.668809D+00 -0.183550D+01
      6  -0.610478D+01  0.153554D+00  0.380797D+01  0.938881D+00 -0.764672D+01
                51            52            53            54            55 
      1  -0.683376D+01 -0.186048D+02 -0.437968D+01  0.992987D+01 -0.417810D+01
      2  -0.263464D+01  0.137387D+02  0.128139D+01 -0.666983D+01 -0.848896D+01
      3   0.946841D+01  0.486607D+01  0.309829D+01 -0.326004D+01  0.126671D+02
      4  -0.135845D+01 -0.187799D+02  0.332802D+00  0.189549D+01  0.180690D+02
      5  -0.466963D+01  0.103100D+02 -0.522923D+01  0.229388D+01  0.456651D+01
      6   0.200127D+01  0.406851D+01 -0.835730D+00  0.583834D+00 -0.607066D+01
                56            57            58            59            60 
      1   0.121052D+01  0.364388D+01 -0.259366D+01 -0.147531D+02  0.117888D+01
      2   0.136268D+02 -0.527233D+01  0.113047D+02  0.790831D+01  0.327332D+00
      3  -0.148373D+02  0.162845D+01 -0.871101D+01  0.684483D+01 -0.150621D+01
      4  -0.235360D+02 -0.553686D+01 -0.222204D+02  0.111461D+02  0.591012D+01
      5  -0.371102D+01 -0.112536D+01 -0.600304D+01  0.648373D+01  0.260616D+01
      6  -0.138319D+01 -0.817345D+01  0.671239D+00  0.386392D+01 -0.809689D+00
                61            62            63            64            65 
      1   0.343344D+01  0.392453D+01  0.293307D+01  0.697071D+01  0.104587D+02
      2  -0.278932D+01 -0.932508D+01  0.526825D+01  0.633002D+01 -0.679193D+01
      3  -0.644116D+00  0.540054D+01 -0.820131D+01 -0.133007D+02 -0.366675D+01
      4  -0.275992D+01  0.768489D+01 -0.336124D+01 -0.383868D+00 -0.554569D+01
      5   0.852224D+00 -0.317085D+00 -0.124711D+01 -0.514529D+01  0.796864D+01
      6  -0.600037D+01  0.279641D+01  0.114847D+02  0.130121D+02  0.158098D+02
                66            67            68            69            70 
      1  -0.402906D+01  0.150164D+02 -0.986464D+01 -0.216302D+01  0.104525D+00
      2   0.150661D+02 -0.373386D+01  0.361003D+01 -0.631875D+01  0.121163D+02
      3  -0.110371D+02 -0.112826D+02  0.625462D+01  0.848177D+01 -0.122208D+02
      4   0.771285D+01 -0.367796D+01 -0.386594D+01  0.383002D+01  0.386438D+00
      5  -0.180164D+02  0.202442D+01  0.937260D+01 -0.960814D+01 -0.158190D+02
      6  -0.219258D+01  0.140280D+02 -0.122600D+02 -0.719766D+00  0.209136D+01
                71            72            73            74            75 
      1  -0.522318D+01 -0.609568D+01  0.243875D+02  0.249525D+01  0.118167D+02
      2   0.480016D+00 -0.231890D+01 -0.186954D+02 -0.203270D+01 -0.123111D+02
      3   0.474316D+01  0.841458D+01 -0.569203D+01 -0.462545D+00  0.494446D+00
      4   0.602251D+01  0.292010D+01  0.871391D+01  0.888522D+01  0.565388D+01
      5  -0.309053D+01 -0.492120D+01  0.212304D+02  0.322808D+01  0.188338D+02
      6  -0.310120D+01  0.148706D+01  0.272114D+01  0.146324D+01  0.352064D+01
                76            77            78            79            80 
      1  -0.447977D+01  0.128454D+01 -0.264892D+01  0.141464D+02 -0.493204D+00
      2   0.423632D+01 -0.692816D+00  0.338761D+01 -0.155226D+02 -0.217935D-01
      3   0.243443D+00 -0.591723D+00 -0.738695D+00  0.137617D+01  0.514998D+00
      4   0.606127D+01  0.795302D+00  0.276262D+01  0.685150D+01  0.344331D+01
      5  -0.310102D+01  0.398916D+01 -0.236544D+01  0.231999D+02  0.496262D+01
      6   0.217214D+01 -0.898521D-01  0.393546D+01  0.401746D+01  0.486196D+01
                81            82            83            84            85 
      1   0.781625D+01 -0.510978D+00 -0.253328D+01 -0.301169D+00 -0.411879D+01
      2  -0.168849D+02  0.700089D+01  0.868649D+01  0.879562D+00  0.104817D+02
      3   0.906862D+01 -0.648992D+01 -0.615321D+01 -0.578393D+00 -0.636293D+01
      4   0.827926D+01  0.700025D+01  0.141045D+02  0.720485D+00  0.114371D+02
      5   0.267533D+02  0.153052D+01  0.240398D+01  0.208724D+01  0.207339D+01
      6   0.536581D+01  0.882372D+00  0.252705D+01  0.625870D+00  0.331034D+01
                86            87            88            89            90 
      1  -0.412072D+02 -0.332572D+01  0.293127D+00  0.272590D+01 -0.588774D+01
      2   0.764601D+02  0.322241D+01 -0.846175D+00 -0.802948D+01  0.488369D+01
      3  -0.352529D+02  0.103311D+00  0.553048D+00  0.530359D+01  0.100405D+01
      4   0.231837D+02  0.203628D+01 -0.162912D+01 -0.234670D+01  0.156818D+01
      5   0.309795D+01  0.178671D+01  0.965467D+00  0.200473D+01 -0.251402D+00
      6   0.146421D+02  0.904155D+01  0.413756D+00  0.869584D+01  0.162585D+01
                91            92            93            94            95 
      1  -0.963095D+00  0.822042D+00  0.354446D+01 -0.172497D+01 -0.614146D+01
      2  -0.370261D+01 -0.434235D-01 -0.673136D-02  0.764862D+00  0.569203D+01
      3   0.466570D+01 -0.778618D+00 -0.353772D+01  0.960108D+00  0.449431D+00
      4  -0.208362D+01  0.311779D+01  0.310289D+01  0.595043D+00 -0.674393D-01
      5  -0.206532D+01  0.818458D+00  0.645545D+01 -0.276157D+00 -0.660744D-02
      6   0.241179D+01 -0.233284D+01 -0.482007D+01 -0.861396D+00  0.390019D+01
                96            97            98            99           100 
      1  -0.175594D+01  0.444204D+01 -0.809855D+01 -0.263804D+02  0.618514D+02
      2   0.355637D+01  0.108797D+01  0.261599D+01 -0.135584D+02 -0.286500D+02
      3  -0.180043D+01 -0.553001D+01  0.548257D+01  0.399388D+02 -0.332015D+02
      4  -0.102303D+00  0.348533D+01  0.897719D-01 -0.221636D+00 -0.320075D+02
      5  -0.472244D+00  0.511807D+01  0.643825D+00  0.216884D+01  0.180441D+02
      6   0.525162D+01 -0.297541D+01  0.122794D+02  0.301521D+02 -0.107005D+02
               101           102           103           104           105 
      1  -0.105971D+02  0.152592D+02 -0.889336D+00  0.519255D+01  0.110544D+01
      2   0.157726D+01 -0.770821D+01 -0.396081D+01  0.256148D+01 -0.408242D+00
      3   0.901986D+01 -0.755095D+01  0.485014D+01 -0.775402D+01 -0.697203D+00
      4   0.171712D+02 -0.100463D+02  0.132828D+02 -0.104993D+02 -0.328071D+00
      5  -0.596668D+01  0.111896D+02  0.336634D+01 -0.123929D+01 -0.280010D+00
      6   0.427115D+01 -0.598995D+01 -0.630399D+00  0.171654D+01  0.156428D+01
               106           107           108           109           110 
      1   0.311158D+02 -0.753745D+01  0.822429D+01  0.377583D+01 -0.100008D+02
      2  -0.172658D+02  0.383020D+01 -0.658832D+01  0.215075D+01  0.689957D+01
      3  -0.138500D+02  0.370725D+01 -0.163596D+01 -0.592658D+01  0.310124D+01
      4  -0.133341D+02  0.260714D+01 -0.343132D+01 -0.541514D+01  0.449994D+01
      5   0.938050D+01  0.189180D-01  0.947686D+01  0.182867D+01 -0.266516D+01
      6  -0.396836D+01  0.130004D+01 -0.344256D+01  0.343155D-01  0.612769D+01
               111           112           113           114           115 
      1  -0.252207D+01 -0.295357D+01 -0.256551D+02 -0.104826D+02  0.114972D+01
      2   0.247315D+01 -0.185128D+01  0.423902D+02  0.128500D+02 -0.275189D+01
      3   0.489192D-01  0.480485D+01 -0.167351D+02 -0.236737D+01  0.160216D+01
      4  -0.250602D+01  0.124368D+02 -0.310004D+02 -0.115841D+02 -0.196140D+00
      5  -0.115155D+01  0.371583D+01 -0.139279D+02 -0.876781D+01  0.284346D-01
      6   0.346012D+01 -0.371867D+01  0.221225D+02  0.133029D+02  0.652653D+00
               116           117           118           119           120 
      1  -0.163051D+02 -0.906717D+01 -0.124327D-01 -0.142902D+01 -0.158188D+01
      2   0.209538D+02  0.756119D+01  0.234681D+00  0.549762D+00  0.224723D+00
      3  -0.464870D+01  0.150598D+01 -0.222249D+00  0.879260D+00  0.135715D+01
      4  -0.116547D+02 -0.427954D+01  0.216760D+01  0.769238D+01  0.354257D+01
      5  -0.571795D+01 -0.380532D+01  0.715659D+00  0.453222D+01  0.572343D+01
      6   0.115993D+02  0.923664D+01  0.519134D+01  0.200828D+01  0.267515D+01
               121           122           123           124           125 
      1  -0.282604D+01 -0.183564D+02 -0.129790D+02 -0.399666D+00 -0.103606D+02
      2   0.152470D+01  0.153026D+02  0.536598D+01  0.306248D+00  0.240916D+01
      3   0.130134D+01  0.305384D+01  0.761304D+01  0.934176D-01  0.795143D+01
      4   0.640776D+01  0.516871D+01  0.284676D+01  0.837664D+00  0.233224D+01
      5   0.350614D+01  0.160287D+01  0.214387D+01  0.324626D+01  0.152730D+01
      6   0.222721D+01  0.225888D+02  0.193390D+02  0.257566D+01  0.167391D+02
               126           127           128           129           130 
      1  -0.151075D+02  0.113039D+02  0.406564D+01  0.659611D+01  0.625615D+01
      2  -0.960818D+00  0.119767D+02 -0.701004D+01 -0.134152D+02 -0.128298D+02
      3   0.160684D+02 -0.232807D+02  0.294439D+01  0.681914D+01  0.657367D+01
      4   0.336179D+01  0.779792D+01  0.469765D+00  0.399476D+01 -0.118145D+01
      5   0.157749D+01  0.610959D+01 -0.543077D+01 -0.217770D+02 -0.694439D+01
      6   0.164064D+02 -0.612343D+00  0.395478D+01  0.235003D+01  0.579879D+01
               131           132           133           134           135 
      1   0.964173D+01  0.294606D+01  0.621841D+01  0.568565D+01 -0.126731D+02
      2  -0.250555D+02  0.139776D+02 -0.122535D+02  0.568507D+01  0.133407D+02
      3   0.154137D+02 -0.169237D+02  0.603512D+01 -0.113707D+02 -0.667536D+00
      4  -0.182902D+02  0.186315D+01  0.547026D+01 -0.306602D+00  0.190621D+01
      5   0.433931D+01  0.103199D+02 -0.215233D+02  0.635357D+01  0.108639D+02
      6   0.219845D+02  0.105664D+01  0.117926D+01  0.490695D+01 -0.131069D+02
               136           137           138           139           140 
      1   0.239848D+00  0.167892D+02  0.255135D+02  0.235485D+02  0.112252D+01
      2   0.248673D+01 -0.127731D+02 -0.121914D+02 -0.210348D+02 -0.153695D+02
      3  -0.272658D+01 -0.401608D+01 -0.133221D+02 -0.251361D+01  0.142470D+02
      4   0.163307D+02 -0.583439D+01  0.249374D+01 -0.120000D+02 -0.370128D+02
      5   0.265682D+02 -0.995275D+00 -0.145647D+02 -0.260093D+01 -0.432334D+01
      6   0.433617D+01 -0.973195D+00 -0.142773D+01 -0.198262D+01 -0.624880D+01
               141           142           143           144           145 
      1  -0.915791D+00  0.311341D+02 -0.219931D+01 -0.193181D+02  0.156448D+02
      2  -0.230406D+01 -0.150593D+02 -0.217498D+01  0.170919D+02  0.405431D+01
      3   0.321985D+01 -0.160748D+02  0.437429D+01  0.222613D+01 -0.196991D+02
      4  -0.363450D+01  0.306763D+01 -0.357719D+01  0.122764D+02 -0.314599D+02
      5   0.154010D+02 -0.211957D+02  0.142823D+02 -0.155138D+02 -0.410079D+01
      6   0.210248D+01 -0.184219D+01  0.250741D+01 -0.108112D+01  0.218233D+01
               146           147           148           149           150 
      1  -0.508973D+01 -0.192841D+01 -0.129683D+01 -0.427495D+01 -0.646656D+00
      2  -0.114696D+02  0.776892D-01 -0.123825D+02  0.231101D+02  0.297466D+01
      3   0.165593D+02  0.185072D+01  0.136794D+02 -0.188352D+02 -0.232801D+01
      4   0.285730D+02  0.400414D+01  0.244194D+02 -0.277747D+02 -0.351288D+01
      5   0.244327D+01  0.592336D+01  0.186509D+01 -0.269439D+01 -0.250110D+01
      6  -0.181009D+01 -0.338772D+01 -0.145964D+01  0.253432D+01  0.637001D+01
               151           152           153           154           155 
      1  -0.159094D+01 -0.543153D+00 -0.112645D+01  0.349496D+01  0.212029D+01
      2   0.394872D-01  0.338048D+01  0.214033D+01 -0.126146D+02 -0.121328D+00
      3   0.155145D+01 -0.283733D+01 -0.101388D+01  0.911960D+01 -0.199896D+01
      4   0.408355D+01 -0.403458D+01 -0.560220D+01 -0.471347D+01  0.460051D+01
      5   0.590064D+01 -0.440174D+01 -0.234883D+01  0.199197D+02 -0.489019D+01
      6  -0.415692D+01  0.791065D+01  0.105579D+01 -0.901018D+01  0.477239D+01
               156           157           158           159           160 
      1  -0.391556D+01 -0.109469D+01 -0.806811D+00  0.139901D+01 -0.309735D+01
      2  -0.124435D+02 -0.771623D+00 -0.101395D+01 -0.163878D+01 -0.110889D+02
      3   0.163591D+02  0.186631D+01  0.182076D+01  0.239772D+00  0.141862D+02
      4  -0.541906D+01  0.509163D+01 -0.150037D+01  0.257653D+01 -0.428519D+01
      5   0.191605D+02 -0.117821D+01  0.344088D+01 -0.117726D+01  0.171915D+02
      6  -0.936457D+01  0.296274D+01 -0.235643D+01  0.726146D+01 -0.692865D+01
               161           162           163           164           165 
      1   0.361207D+01 -0.115795D+02 -0.361361D+01 -0.802434D+01  0.887685D+01
      2   0.883934D+00 -0.167814D+02 -0.149422D+01  0.468693D+01  0.121525D+01
      3  -0.449601D+01  0.283609D+02  0.510782D+01  0.333742D+01 -0.100921D+02
      4   0.245570D+01 -0.407020D+01  0.875964D+01  0.849128D+01 -0.707690D+01
      5  -0.312186D+01  0.207540D+02 -0.118078D+02 -0.798347D+01  0.130835D+02
      6   0.781297D+01 -0.128992D+02 -0.104483D+02 -0.139444D+02  0.128653D+02
               166           167           168           169           170 
      1  -0.515310D+01 -0.107825D+02  0.940036D+01  0.411594D+01  0.777138D+01
      2   0.303538D+01  0.101648D+02 -0.200014D+01  0.689727D+00 -0.398079D+00
      3   0.211772D+01  0.617704D+00 -0.740022D+01 -0.480566D+01 -0.737330D+01
      4   0.754352D+01  0.625741D+01 -0.480725D+01 -0.451608D+01 -0.430051D+01
      5  -0.560208D+01 -0.694441D+01  0.533676D+01  0.914162D+01  0.494969D+01
      6  -0.894954D+01 -0.148454D+02  0.150254D+02  0.654333D+01  0.124432D+02
               171           172           173           174           175 
      1  -0.112030D+02 -0.488913D+01  0.750122D+00 -0.973069D+01 -0.849639D+00
      2  -0.339259D+01 -0.463062D+01 -0.568348D+00 -0.379277D+01  0.110349D+01
      3   0.145955D+02  0.951975D+01 -0.181774D+00  0.135235D+02 -0.253856D+00
      4   0.478261D+01 -0.908197D+01  0.530048D+00 -0.224915D+01  0.129950D+01
      5  -0.799236D+01  0.137852D+02  0.180445D+01  0.827032D+01  0.198926D+01
      6  -0.150350D+02 -0.618087D-01  0.398054D+01 -0.489946D+01  0.221187D+01
               176           177           178           179           180 
      1  -0.300993D+01 -0.587615D+00 -0.585598D+01 -0.435670D+00 -0.678559D+01
      2   0.331933D+01 -0.272522D+01 -0.280814D+01 -0.107924D+01 -0.629149D+01
      3  -0.309396D+00  0.331283D+01  0.866411D+01  0.151491D+01  0.130771D+02
      4   0.888104D+00  0.821552D-01 -0.282149D+01  0.823191D+00 -0.301819D+01
      5   0.171875D+01 -0.164566D+01  0.955200D+01 -0.742356D-01  0.547544D+01
      6  -0.198927D+01  0.228922D+01 -0.220927D+01  0.249640D+01 -0.187895D+01
               181           182           183           184           185 
      1  -0.477657D+00  0.150377D+01 -0.331225D+00 -0.612560D+00 -0.210014D+02
      2   0.170071D+01  0.177567D+01  0.154993D+01  0.541066D+01  0.386017D+02
      3  -0.122305D+01 -0.327944D+01 -0.121871D+01 -0.479810D+01 -0.176002D+02
      4   0.449587D+01  0.817656D+01 -0.236266D+01  0.106274D+02  0.216134D+02
      5  -0.254466D+01 -0.326411D+01  0.507924D+01 -0.435217D+01 -0.593290D+01
      6  -0.327133D+01 -0.324888D+01  0.121469D+01 -0.616125D+01 -0.305051D+02
               186           187           188           189           190 
      1   0.793882D+01  0.385245D+00  0.218302D+01 -0.253298D+01  0.896569D+01
      2  -0.534569D+01  0.190563D+01  0.155091D+01  0.144465D+01 -0.176737D+02
      3  -0.259313D+01 -0.229087D+01 -0.373392D+01  0.108833D+01  0.870804D+01
      4  -0.529169D+01 -0.710633D-01  0.563281D+00  0.238164D+01  0.249309D+01
      5   0.409418D+01  0.335506D+01  0.153681D+01 -0.179176D+01 -0.237719D+02
      6   0.138618D+02  0.127496D+01  0.685551D+01 -0.316161D+01 -0.255504D-02
               191           192           193           194           195 
      1  -0.223671D+01 -0.152395D+01 -0.329821D+01 -0.686885D+00 -0.169861D+01
      2   0.396651D+01  0.168241D+02  0.681237D+01 -0.866799D+00 -0.866316D+01
      3  -0.172979D+01 -0.153002D+02 -0.351416D+01  0.155368D+01  0.103618D+02
      4   0.389409D+01 -0.316885D+01  0.317196D+01 -0.756644D+00 -0.300484D+01
      5   0.305109D+01  0.249971D+02  0.848496D+01 -0.591020D+01 -0.966740D+01
      6  -0.546376D+01  0.166391D+01 -0.463651D+01  0.205502D+01  0.520649D+01
               196           197           198           199           200 
      1  -0.118131D+01 -0.572044D+00 -0.669612D+01  0.940413D+01 -0.435891D+01
      2   0.141750D+02 -0.373926D+01 -0.229835D+02 -0.841595D+01  0.322364D+01
      3  -0.129937D+02  0.431131D+01  0.296796D+02 -0.988186D+00  0.113528D+01
      4  -0.240172D+01 -0.276560D+01  0.165580D+01 -0.335633D+01  0.292736D+01
      5   0.207212D+02 -0.333437D+01 -0.270738D+02  0.937926D+01 -0.317786D+01
      6   0.640250D+00  0.539078D+01 -0.781544D+00 -0.442861D+00  0.557046D+00
               201           202           203           204           205 
      1   0.638717D+01 -0.964848D+01  0.895885D+00 -0.194227D+01  0.126118D+02
      2  -0.677471D+01  0.655757D+01 -0.205414D+00  0.371663D+01 -0.110151D+02
      3   0.387541D+00  0.309091D+01 -0.690472D+00 -0.177435D+01 -0.159673D+01
      4  -0.176203D+01  0.453883D+01 -0.217431D+01  0.638871D+01  0.116414D+00
      5   0.147002D+02 -0.492812D+01  0.629406D+01 -0.100891D+02  0.209833D+02
      6   0.681907D+00  0.867838D+00 -0.140669D+01  0.258751D+01  0.221616D+01
               206           207           208           209           210 
      1  -0.366501D+00  0.674275D+01  0.541550D+02 -0.915891D+01 -0.185145D+02
      2   0.337689D+01 -0.174654D+02 -0.295340D+02  0.560053D+01  0.105346D+02
      3  -0.301039D+01  0.107226D+02 -0.246210D+02  0.355837D+01  0.797995D+01
      4   0.789615D+01 -0.548303D+01 -0.307302D+01  0.863065D+01  0.117990D+01
      5  -0.751318D+01  0.341525D+02 -0.199579D+02  0.307084D+01  0.156368D+02
      6   0.304948D+01  0.328991D+01 -0.201163D+01 -0.582919D-01  0.183073D+01
               211           212           213           214           215 
      1  -0.188779D+02  0.695057D+01  0.452783D+01 -0.323626D+02  0.395747D+01
      2   0.111333D+02 -0.169061D+01 -0.258826D+01  0.188241D+02 -0.255027D+01
      3   0.774464D+01 -0.525995D+01 -0.193957D+01  0.135385D+02 -0.140720D+01
      4   0.106838D+02 -0.236798D+01 -0.428289D+01 -0.158612D+00 -0.659590D+01
      5   0.584756D+01 -0.410588D+01 -0.724044D+01  0.215713D+02 -0.507509D+01
      6  -0.766289D+00  0.145501D+01  0.138404D+01  0.179610D+01  0.128158D+01
               216           217           218           219           220 
      1   0.147736D+02  0.661151D+01  0.580521D+01 -0.140812D+01  0.948825D+01
      2  -0.122097D+02  0.127348D+00 -0.479153D+00  0.112546D+01  0.440167D+01
      3  -0.256391D+01 -0.673886D+01 -0.532606D+01  0.282653D+00 -0.138899D+02
      4  -0.308651D+01  0.866096D+01  0.124172D+02  0.111229D+01  0.264593D+02
      5  -0.171078D+02 -0.801276D+00  0.178537D+01  0.328977D+01  0.404088D+01
      6  -0.146672D+01  0.796277D+00  0.993567D+00  0.433066D+00  0.331854D+01
               221           222           223           224           225 
      1  -0.509066D+01  0.283263D+00 -0.284218D+01 -0.138107D+00  0.108723D+01
      2   0.271418D+02  0.878473D+00  0.141655D+01  0.850701D+00  0.314315D+00
      3  -0.220511D+02 -0.116174D+01  0.142563D+01 -0.712594D+00 -0.140155D+01
      4   0.493374D+02  0.433968D+01  0.143630D+01  0.310752D+01  0.457452D+01
      5   0.457954D+01  0.635851D+01  0.640160D+01  0.441214D+01  0.283928D+01
      6   0.795778D+01  0.679572D+01  0.270871D+01  0.633077D+01  0.147593D+01
               226           227           228           229           230 
      1   0.166988D+02  0.115838D+02 -0.548428D+01  0.753476D+01  0.280451D+01
      2  -0.600135D+01 -0.299541D+01  0.140594D+01  0.342917D+00  0.610223D+01
      3  -0.106974D+02 -0.858838D+01  0.407834D+01 -0.787768D+01 -0.890674D+01
      4   0.196016D+02  0.219650D+02 -0.667314D+01  0.156277D+02  0.261095D+02
      5  -0.688022D+01 -0.330984D+01  0.766348D+01 -0.312671D+01 -0.691765D+01
      6  -0.505025D+01 -0.480542D+01  0.393937D+01 -0.460346D+01 -0.618344D+01
               231           232           233           234 
      1  -0.294855D+01 -0.975841D+01 -0.416694D+01  0.561394D+01
      2  -0.171921D+01  0.349658D+01 -0.192191D+01 -0.367031D+01
      3   0.466776D+01  0.626183D+01  0.608885D+01 -0.194363D+01
      4  -0.868595D+01 -0.113777D+02 -0.203979D+02  0.107032D+02
      5   0.265873D+01  0.101009D+02  0.731656D+01 -0.971412D+01
      6   0.666225D+01  0.563563D+01  0.822662D+01 -0.639779D+01
 Leave Link  716 at Fri Jul  9 22:27:23 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.130749D+03 -0.781737D+01 -0.920286D-02
      2  -0.781737D+01  0.122549D+03  0.107689D+01
      3  -0.920286D-02  0.107689D+01  0.107001D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.382442D+01 -0.354162D+01  0.271378D+01
      2   0.712246D+01  0.211517D+01 -0.695219D+01
      3   0.107740D+02 -0.962960D+01 -0.600442D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.133753D+02 -0.306236D+02  0.446262D+01
      2   0.191328D+02 -0.881885D+01 -0.842431D+01
      3  -0.325081D+02  0.394424D+02  0.396168D+01
      4  -0.740037D+02  0.584131D+02  0.127494D+02
      5   0.604508D+01  0.188099D+02 -0.210082D+02
      6   0.949543D+01 -0.413632D+01 -0.577814D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.176714D+01 -0.213800D+01 -0.175646D+01 -0.114541D+01  0.148679D+01
      2  -0.213800D+01 -0.146939D+01  0.115327D+01  0.148679D+01 -0.377288D+01
      3  -0.175646D+01  0.115327D+01 -0.276237D+01  0.200671D+01  0.127388D+01
                 6             7             8             9            10 
      1   0.200671D+01 -0.322712D+01  0.214799D+01 -0.360271D+01 -0.574774D-01
      2   0.127388D+01  0.214799D+01  0.253440D+01 -0.109405D+01  0.248013D+01
      3  -0.187910D-01 -0.360271D+01 -0.109405D+01 -0.621838D+00  0.182980D+01
                11            12            13            14            15 
      1   0.248013D+01  0.182980D+01  0.211169D+01 -0.337023D+01 -0.185675D+00
      2  -0.345032D+01 -0.310104D-01 -0.337023D+01 -0.719128D+01  0.596735D+00
      3  -0.310104D-01  0.199834D+01 -0.185675D+00  0.596735D+00  0.963454D+00
                16            17            18            19            20 
      1   0.243326D+01  0.209049D+00  0.208140D+01 -0.130047D+02  0.976916D+01
      2   0.209049D+00  0.160281D+01 -0.178118D+00  0.976916D+01 -0.856202D+01
      3   0.208140D+01 -0.178118D+00 -0.588887D+01  0.354016D+01 -0.365268D+00
                21            22            23            24            25 
      1   0.354016D+01  0.960180D+01 -0.846141D+01 -0.208778D+01  0.187895D+00
      2  -0.365268D+00 -0.846141D+01  0.109815D+02 -0.232141D+01  0.381853D+00
      3  -0.209866D+01 -0.208778D+01 -0.232141D+01  0.307322D+01 -0.697478D+00
                26            27            28            29            30 
      1   0.381853D+00 -0.697478D+00  0.723243D+01 -0.697292D+01 -0.595663D+01
      2  -0.179896D+01  0.876528D+00 -0.697292D+01  0.814453D+01  0.228385D+01
      3   0.876528D+00 -0.966612D-01 -0.595663D+01  0.228385D+01  0.303495D+01
                31            32            33            34            35 
      1  -0.995355D+01  0.882936D+01  0.104870D+01 -0.654451D+01  0.127971D+01
      2   0.882936D+01 -0.919176D+01  0.408861D+01  0.127971D+01  0.496265D+01
      3   0.104870D+01  0.408861D+01 -0.298058D+01  0.352794D+01 -0.316454D+01
                36            37            38            39            40 
      1   0.352794D+01  0.117924D+02 -0.591990D+01 -0.420158D+01 -0.221014D+01
      2  -0.316454D+01 -0.591990D+01  0.405052D+01 -0.520578D+00  0.285191D+01
      3  -0.103608D+01 -0.420158D+01 -0.520578D+00  0.268499D+01 -0.819945D+00
                41            42            43            44            45 
      1   0.285191D+01 -0.819945D+00 -0.708258D+01  0.312317D+00  0.314069D+01
      2   0.838055D+00  0.556474D+01  0.312317D+00  0.507119D+01  0.109313D+01
      3   0.556474D+01  0.878257D+00  0.314069D+01  0.109313D+01 -0.120968D+01
                46            47            48            49            50 
      1  -0.421073D+01  0.323935D+01  0.616800D+01  0.427955D+01 -0.483720D+01
      2   0.323935D+01 -0.282571D+01  0.346993D-01 -0.483720D+01 -0.747447D+01
      3   0.616800D+01  0.346993D-01 -0.251118D+01 -0.346255D+00 -0.396839D+00
                51            52            53            54            55 
      1  -0.346255D+00  0.112717D+02 -0.201846D+01 -0.285129D+01  0.186677D+01
      2  -0.396839D+00 -0.201846D+01  0.109592D+01  0.241793D+01 -0.338569D+01
      3   0.195864D+01 -0.285129D+01  0.241793D+01 -0.739434D+00 -0.258449D+01
                56            57            58            59            60 
      1  -0.338569D+01 -0.258449D+01 -0.332887D+01  0.621432D+01  0.666043D-01
      2   0.580518D+01 -0.144869D+00  0.621432D+01  0.399659D+01 -0.231067D+01
      3  -0.144869D+00 -0.137023D+01  0.666043D-01 -0.231067D+01  0.166488D+01
                61            62            63            64            65 
      1  -0.267282D+01 -0.659668D+00 -0.163922D+01  0.105275D+00 -0.930021D+00
      2  -0.659668D+00 -0.302263D+01  0.468494D+00 -0.930021D+00 -0.399203D+01
      3  -0.163922D+01  0.468494D+00  0.484873D+01  0.416501D+01  0.266763D+01
                66            67            68            69            70 
      1   0.416501D+01  0.758045D+00 -0.419530D+01  0.311745D+01  0.372287D+01
      2   0.266763D+01 -0.419530D+01  0.398324D+01 -0.129020D+01  0.174991D+01
      3   0.175455D+01  0.311745D+01 -0.129020D+01 -0.268758D+01  0.151798D+01
                71            72            73            74            75 
      1   0.174991D+01  0.151798D+01  0.462259D+01  0.606500D+00  0.270380D+01
      2  -0.417679D+00 -0.220257D+01  0.606500D+00  0.118762D+01  0.412648D+00
      3  -0.220257D+01 -0.147198D+01  0.270380D+01  0.412648D+00  0.248416D+01
                76            77            78            79            80 
      1  -0.661943D+00  0.764898D+00 -0.549881D+00  0.376080D+01  0.234348D+00
      2   0.764898D+00 -0.712248D-01  0.601309D+00  0.234348D+00  0.603394D+00
      3  -0.549881D+00  0.601309D+00 -0.301318D+00  0.329630D+01  0.809341D+00
                81            82            83            84            85 
      1   0.329630D+01  0.939184D+00  0.151868D+01 -0.103686D+00  0.147676D+01
      2   0.809341D+00  0.151868D+01  0.182992D+01  0.187564D+00  0.214020D+01
      3   0.436217D+01 -0.103686D+00  0.187564D+00 -0.886274D-01  0.266130D+00
                86            87            88            89            90 
      1   0.214020D+01  0.266130D+00 -0.679383D+00 -0.237849D+00 -0.234399D-01
      2   0.124092D+02  0.796510D+00 -0.237849D+00 -0.133489D+01  0.126022D+01
      3   0.796510D+00  0.969313D+00 -0.234399D-01  0.126022D+01  0.488776D+00
                91            92            93            94            95 
      1  -0.801691D+00 -0.126166D+00  0.992417D+00 -0.403186D+00  0.230030D-01
      2  -0.126166D+00  0.782848D-01 -0.280104D+00  0.230030D-01  0.844522D+00
      3   0.992417D+00 -0.280104D+00 -0.124785D+01  0.322912D-01  0.101918D+01
                96            97            98            99           100 
      1   0.322912D-01  0.124840D+01 -0.555231D-01 -0.990676D+00  0.929436D+01
      2   0.101918D+01 -0.555231D-01  0.149524D+01  0.182303D+01 -0.236149D+01
      3  -0.107366D+00 -0.990676D+00  0.182303D+01  0.885467D+01  0.292414D+01
               101           102           103           104           105 
      1  -0.236149D+01  0.292414D+01 -0.751080D+00  0.161663D+01  0.476805D+00
      2   0.170413D+01 -0.861720D+00  0.161663D+01 -0.168118D+01 -0.250160D+00
      3  -0.861720D+00  0.150793D+01  0.476805D+00 -0.250160D+00  0.353347D-01
               106           107           108           109           110 
      1   0.506865D+01 -0.719777D+00  0.142700D+01  0.105920D+01 -0.120227D+01
      2  -0.719777D+00 -0.120900D+00 -0.129386D-01 -0.120227D+01 -0.829441D+00
      3   0.142700D+01 -0.129386D-01  0.110183D+01  0.191360D+00 -0.107882D+01
               111           112           113           114           115 
      1   0.191360D+00 -0.146302D+01  0.135258D+01  0.454756D+00  0.106450D+00
      2  -0.107882D+01  0.135258D+01 -0.824333D+01 -0.309600D+01 -0.155967D+00
      3  -0.609218D+00  0.454756D+00 -0.309600D+01 -0.191460D+01 -0.257478D+00
               116           117           118           119           120 
      1  -0.155967D+00 -0.257478D+00 -0.463783D+00 -0.108513D+01 -0.539201D+00
      2  -0.407380D+01 -0.158628D+01 -0.108513D+01 -0.831017D+00 -0.384620D+00
      3  -0.158628D+01 -0.126222D+01 -0.539201D+00 -0.384620D+00 -0.696034D+00
               121           122           123           124           125 
      1  -0.164071D+01 -0.565668D+00 -0.474970D+00  0.420074D-01 -0.468401D+00
      2  -0.565668D+00 -0.547067D+01 -0.340427D+01 -0.468401D+00 -0.262112D+01
      3  -0.474970D+00 -0.340427D+01 -0.293707D+01 -0.587451D+00 -0.275962D+01
               126           127           128           129           130 
      1  -0.587451D+00 -0.251074D+01 -0.160821D+01 -0.478251D+01 -0.195369D+01
      2  -0.275962D+01 -0.160821D+01  0.133824D+01  0.262898D+00  0.208798D+01
      3  -0.371016D+01 -0.478251D+01  0.262898D+00  0.232715D+01  0.605329D+00
               131           132           133           134           135 
      1   0.208798D+01  0.605329D+00 -0.476958D+01  0.542190D+00  0.227829D+01
      2   0.694533D+01 -0.783888D+00  0.542190D+00  0.169274D+00 -0.271806D+01
      3  -0.783888D+00 -0.304145D+01  0.227829D+01 -0.271806D+01 -0.110100D+00
               136           137           138           139           140 
      1  -0.181992D+00 -0.245197D+01 -0.435618D+01 -0.362281D+01  0.324901D+01
      2  -0.245197D+01  0.132310D+01  0.542742D-01  0.324901D+01  0.682531D+01
      3  -0.435618D+01  0.542742D-01  0.222505D+01  0.244331D+00  0.956625D+00
               141           142           143           144           145 
      1   0.244331D+00 -0.585069D+01  0.894933D+00  0.333705D+01 -0.628784D+01
      2   0.956625D+00  0.894933D+00  0.350875D+00 -0.262839D+01  0.435656D+01
      3  -0.293245D+01  0.333705D+01 -0.262839D+01  0.279265D+01  0.100342D+01
               146           147           148           149           150 
      1   0.435656D+01  0.100342D+01  0.340264D+01 -0.394306D+01 -0.228061D+00
      2  -0.453096D+01 -0.548386D+00 -0.394306D+01  0.544543D+01  0.926806D+00
      3  -0.548386D+00 -0.813383D+00 -0.228061D+00  0.926806D+00  0.704370D+00
               151           152           153           154           155 
      1   0.112576D+01 -0.416332D+00 -0.979628D+00 -0.452609D+01  0.820937D+00
      2  -0.416332D+00  0.111115D+01  0.126091D+01  0.820937D+00 -0.935773D+00
      3  -0.979628D+00  0.126091D+01  0.373787D+00 -0.328262D+01  0.578918D+00
               156           157           158           159           160 
      1  -0.328262D+01 -0.192286D+00 -0.506703D+00  0.686850D-01 -0.288674D+01
      2   0.578918D+00 -0.506703D+00  0.952796D-01 -0.821139D+00  0.554153D+00
      3  -0.384797D+01  0.686850D-01 -0.821139D+00  0.504420D+00 -0.335546D+01
               161           162           163           164           165 
      1   0.554153D+00 -0.335546D+01  0.311438D+01  0.203877D+01 -0.257419D+01
      2  -0.984890D+00  0.119595D+01  0.203877D+01  0.279722D+01 -0.212566D+01
      3   0.119595D+01 -0.557142D+01 -0.257419D+01 -0.212566D+01  0.296786D+01
               166           167           168           169           170 
      1   0.120186D+01  0.199049D+01 -0.126809D+01 -0.133087D+01 -0.112923D+01
      2   0.199049D+01  0.305577D+01 -0.215832D+01 -0.112923D+01 -0.151331D+01
      3  -0.126809D+01 -0.215832D+01  0.241374D+01  0.139684D+01  0.220704D+01
               171           172           173           174           175 
      1   0.139684D+01  0.524214D+01  0.634593D+00  0.183764D+01  0.815725D+00
      2   0.220704D+01  0.634593D+00  0.860690D+00 -0.243172D+00  0.514713D+00
      3  -0.347449D+01  0.183764D+01 -0.243172D+00  0.247883D+01 -0.101051D+00
               176           177           178           179           180 
      1   0.514713D+00 -0.101051D+00  0.172184D+01 -0.734419D-02  0.148703D+01
      2  -0.454461D+00  0.463950D+00 -0.734419D-02  0.366559D+00  0.236097D+00
      3   0.463950D+00  0.598032D+00  0.148703D+01  0.236097D+00  0.220693D+01
               181           182           183           184           185 
      1  -0.493248D+00 -0.102165D+01  0.766182D+00 -0.136306D+01 -0.179020D+01
      2  -0.102165D+01 -0.958094D+00  0.159805D+00 -0.179020D+01 -0.882865D+01
      3   0.766182D+00  0.159805D+00 -0.636830D+00  0.410300D+00  0.214773D+01
               186           187           188           189           190 
      1   0.410300D+00  0.277686D+00 -0.101264D+00 -0.457155D+00 -0.387063D+01
      2   0.214773D+01 -0.101264D+00  0.507492D-01 -0.812510D+00  0.560885D+00
      3  -0.174047D+01 -0.457155D+00 -0.812510D+00  0.372511D+00  0.355812D+01
               191           192           193           194           195 
      1   0.560885D+00  0.355812D+01  0.147192D+01 -0.101900D+01 -0.113856D+01
      2  -0.111906D+01 -0.228294D+00 -0.101900D+01  0.247244D+00  0.105257D+01
      3  -0.228294D+00 -0.408897D+01 -0.113856D+01  0.105257D+01  0.227738D+01
               196           197           198           199           200 
      1   0.269084D+01 -0.276181D+00 -0.325308D+01 -0.140979D+01  0.821216D+00
      2  -0.276181D+00  0.693980D+00  0.830525D+00  0.821216D+00 -0.370624D+00
      3  -0.325308D+01  0.830525D+00  0.580517D+01 -0.133028D+01  0.339944D+00
               201           202           203           204           205 
      1  -0.133028D+01  0.168034D+01 -0.695708D+00  0.545079D+00 -0.254448D+01
      2   0.339944D+00 -0.695708D+00  0.410893D+00 -0.122486D+01  0.682344D-01
      3  -0.174114D+01  0.545079D+00 -0.122486D+01  0.169133D+01 -0.271653D+01
               206           207           208           209           210 
      1   0.682344D-01 -0.271653D+01 -0.740293D+01  0.106917D+01  0.275665D+01
      2  -0.130808D+01  0.138220D+01  0.106917D+01 -0.950184D+00 -0.468304D+00
      3   0.138220D+01 -0.583636D+01  0.275665D+01 -0.468304D+00 -0.183227D+01
               211           212           213           214           215 
      1   0.305121D+01 -0.171082D+01 -0.798231D+00  0.551334D+01 -0.592814D+00
      2  -0.171082D+01  0.315069D+00  0.604927D+00 -0.592814D+00  0.920008D+00
      3  -0.798231D+00  0.604927D+00  0.108703D+01 -0.284625D+01  0.779634D+00
               216           217           218           219           220 
      1  -0.284625D+01 -0.124437D+01 -0.115403D+01  0.225900D+00 -0.308105D+01
      2   0.779634D+00 -0.115403D+01 -0.951808D+00 -0.100417D+00 -0.363175D+01
      3   0.235927D+01  0.225900D+00 -0.100417D+00 -0.230613D+00 -0.501702D+00
               221           222           223           224           225 
      1  -0.363175D+01 -0.501702D+00  0.380595D+00 -0.278025D+00 -0.894974D+00
      2  -0.840058D+01 -0.756433D+00 -0.278025D+00 -0.485917D+00 -0.821371D+00
      3  -0.756433D+00 -0.963198D+00 -0.894974D+00 -0.821371D+00 -0.489854D+00
               226           227           228           229           230 
      1   0.296439D+01  0.244149D+01 -0.119476D+01  0.191927D+01  0.160517D+01
      2   0.244149D+01  0.265700D+01 -0.754285D+00  0.160517D+01  0.438710D+01
      3  -0.119476D+01 -0.754285D+00  0.111153D+01 -0.842968D+00 -0.127937D+01
               231           232           233           234 
      1  -0.842968D+00 -0.196328D+01 -0.125785D+01  0.166232D+01
      2  -0.127937D+01 -0.125785D+01 -0.334604D+01  0.133742D+01
      3   0.805471D+00  0.166232D+01  0.133742D+01 -0.204735D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.199599D+01 -0.172787D+01  0.338745D+01  0.582033D+00 -0.293791D+01
      2  -0.665046D+01  0.766055D+01 -0.451027D+01  0.649028D+01  0.532066D+01
      3   0.865583D+01 -0.869489D+01 -0.761613D+01 -0.246323D+01  0.540517D+01
                 6             7             8             9            10 
      1  -0.134430D+01  0.364677D+01  0.968109D+01  0.233541D+01 -0.205794D+01
      2  -0.453658D+00 -0.101677D+02 -0.623138D+01 -0.989407D-01  0.214487D+01
      3  -0.177561D+01 -0.103303D+02 -0.282452D+01 -0.296915D+01 -0.905340D+00
                11            12            13            14            15 
      1  -0.331760D+01 -0.450216D+01 -0.301115D+01 -0.114824D+02 -0.415600D+01
      2  -0.241306D+01  0.271414D+00 -0.344431D+01  0.234006D+01  0.783783D+00
      3   0.762617D+01  0.511899D+01  0.122311D+02 -0.502567D+01 -0.329104D+00
                16            17            18            19            20 
      1  -0.546940D+01  0.561548D+01  0.157298D+02 -0.194715D+01  0.266542D+01
      2  -0.502787D+01  0.632773D+00 -0.559953D+01  0.245353D+01  0.701967D+01
      3   0.666235D+01  0.494121D+00  0.364172D+01  0.331882D+01 -0.108032D+01
                21            22            23            24            25 
      1  -0.674559D+01 -0.192833D+01 -0.976114D+01  0.777104D+01 -0.815155D+01
      2  -0.549231D+01  0.206835D+01 -0.750208D+01  0.879184D+01 -0.129997D+02
      3  -0.538631D+01  0.110630D+02 -0.172200D+02  0.854300D+01  0.103474D+01
                26            27            28            29            30 
      1   0.133978D+02  0.215445D+01 -0.882279D+01 -0.813418D+00  0.606368D+01
      2   0.723790D+01 -0.265976D+01 -0.843661D+01  0.358289D+01  0.791972D+01
      3   0.291149D+01 -0.217744D+00  0.871724D+01 -0.145697D+02  0.460677D+01
                31            32            33            34            35 
      1  -0.321017D+01  0.117832D+02 -0.934870D+01  0.186607D+01 -0.197528D+00
      2  -0.196499D+01  0.155200D+02 -0.887239D+01 -0.149579D+01 -0.426864D+01
      3  -0.223356D+00  0.518214D+01 -0.127742D+02  0.899021D+01 -0.164420D+02
                36            37            38            39            40 
      1   0.286484D+01 -0.140071D+01 -0.185724D+01  0.299136D+01 -0.452896D+01
      2  -0.248437D+01  0.103046D+02 -0.739888D+01 -0.207858D+01 -0.282858D+01
      3   0.206509D+01 -0.180269D+01 -0.996023D+00  0.193899D+01  0.860324D+01
                41            42            43            44            45 
      1   0.801555D+01 -0.986868D+01  0.691009D+01 -0.438701D+01 -0.259001D+01
      2   0.350194D+01 -0.195853D+01 -0.160884D+02  0.488276D+01  0.396621D+01
      3  -0.410202D+01 -0.201088D+01  0.318750D+01  0.759166D+00 -0.247599D+01
                46            47            48            49            50 
      1   0.420343D+01 -0.599830D+00 -0.190291D+01 -0.206224D+01 -0.457518D+01
      2  -0.134107D+02  0.108242D+01  0.927752D+01  0.296166D+01 -0.952351D+00
      3   0.420767D+01 -0.107262D+02 -0.212592D+01 -0.126994D+01 -0.144081D+02
                51            52            53            54            55 
      1  -0.162928D+01 -0.401050D+01  0.819218D+01  0.928365D+00  0.374281D+01
      2  -0.375422D+01  0.326908D+01 -0.759230D+01  0.386404D+01  0.252509D+01
      3  -0.125941D+01 -0.537245D+01  0.831253D+00  0.781789D+01 -0.275262D+01
                56            57            58            59            60 
      1   0.166137D+01  0.531565D+01  0.248703D+01  0.481513D+01 -0.515665D+01
      2   0.254382D+01  0.416407D+01  0.143955D+01  0.189833D+01 -0.138804D+01
      3  -0.473669D+01 -0.431232D+01  0.333028D+01  0.141096D+02 -0.202722D+01
                61            62            63            64            65 
      1   0.326442D+01  0.213679D+01 -0.117018D+02 -0.190388D+01  0.383648D+01
      2  -0.173255D+01 -0.245581D+01 -0.568503D+01 -0.193904D+01 -0.573009D+01
      3  -0.573827D+01 -0.387012D+01 -0.357106D+01  0.654184D+00 -0.729523D+01
                66            67            68            69            70 
      1  -0.104788D+02  0.681590D+01 -0.870057D+01  0.423822D+01 -0.748276D+01
      2   0.120582D+02 -0.285622D+01 -0.706478D+01  0.899028D+01  0.398659D+01
      3   0.765849D+01 -0.936944D+00 -0.138966D+01  0.337072D+01  0.514476D+01
                71            72            73            74            75 
      1   0.787009D+01  0.884326D+01 -0.313234D+01  0.675791D+00 -0.298302D+01
      2   0.676335D+01  0.697483D+01  0.264762D+01  0.126059D+01  0.613000D+01
      3   0.173521D+01  0.196556D+01  0.401181D+01 -0.363189D+01  0.259582D+01
                76            77            78            79            80 
      1   0.384180D+00 -0.626355D-01 -0.648271D-01 -0.334291D+01  0.133252D+01
      2  -0.640665D+00  0.628389D+00 -0.826717D+00  0.315377D+01  0.203327D+01
      3  -0.482711D+00  0.227410D+01 -0.139522D+01  0.468902D+01 -0.246293D+01
                81            82            83            84            85 
      1  -0.469222D+01  0.177130D+01  0.195609D+01  0.756868D-01  0.126781D+01
      2   0.915670D+01 -0.101341D+01 -0.117739D+01  0.148424D+01 -0.163636D+01
      3   0.267002D+01  0.200440D+01  0.342182D+00 -0.648922D+00  0.561953D+01
                86            87            88            89            90 
      1   0.101564D+02 -0.469632D+01  0.107940D+00 -0.243352D+01  0.207259D+00
      2  -0.150428D+01  0.777730D+00 -0.589020D-01  0.560771D+00  0.202860D+00
      3  -0.299710D+01  0.396739D+00 -0.192496D+01  0.435685D+00 -0.647107D+00
                91            92            93            94            95 
      1  -0.250232D+01 -0.377381D+00  0.286882D+01 -0.578207D+00 -0.134633D+01
      2   0.150398D+01  0.435071D+00 -0.734295D+00  0.105767D+01  0.600728D+00
      3  -0.224425D+01 -0.217529D+01  0.189793D+01 -0.653681D+00  0.788173D+00
                96            97            98            99           100 
      1   0.136525D+01  0.259062D+01  0.147500D+01 -0.186141D+02  0.738734D+01
      2  -0.477584D+00 -0.541217D+01  0.833513D+00  0.583030D+01  0.104574D+02
      3  -0.567228D+00  0.355156D+01 -0.699392D+00 -0.238774D+01 -0.110326D+02
               101           102           103           104           105 
      1  -0.100738D+01  0.349108D+01  0.392957D+00  0.289862D+00 -0.131028D+00
      2  -0.486958D+01  0.834451D+01  0.139819D+01 -0.139527D+01  0.481011D+00
      3  -0.321223D+01 -0.354706D+01 -0.162669D+01  0.113801D+01 -0.123804D+00
               106           107           108           109           110 
      1   0.328262D+01  0.811276D+00  0.164234D+01  0.211160D+01 -0.200194D+01
      2   0.229285D+01  0.226376D+01  0.521643D+01 -0.216430D+00 -0.276907D+01
      3  -0.878953D+01  0.117212D+01 -0.189163D+01  0.266584D+01  0.347478D+01
               111           112           113           114           115 
      1  -0.182479D+01  0.166627D+01 -0.284536D+01 -0.563215D+01 -0.221618D+01
      2  -0.900192D+00 -0.125932D+01 -0.729791D+01 -0.402540D+01 -0.857656D+00
      3   0.252100D+01  0.226799D+01  0.192970D+02  0.777892D+01  0.108934D+01
               116           117           118           119           120 
      1   0.134005D+01 -0.341014D+01  0.942568D+00  0.616882D+00 -0.358893D-01
      2  -0.502144D+01 -0.237436D+01 -0.465254D+00 -0.852634D+00  0.787937D+00
      3   0.120641D+02  0.412203D+01 -0.856430D-01 -0.615006D+00  0.562789D-01
               121           122           123           124           125 
      1  -0.193955D+00  0.597323D+01 -0.105379D+01 -0.168811D-01  0.329450D+01
      2  -0.298986D+01 -0.264702D+00  0.324332D+00 -0.251273D+01 -0.468150D+00
      3   0.491067D+01 -0.378820D-01  0.120783D+00  0.118993D+01  0.115222D-01
               126           127           128           129           130 
      1  -0.757822D+00 -0.922102D+01  0.267902D+01  0.314555D+01  0.578902D+01
      2  -0.273992D+00  0.133121D+02  0.129942D+01  0.104865D+02  0.238072D+01
      3   0.184127D+00  0.215148D+01  0.130211D+01  0.684886D+01  0.624051D+01
               131           132           133           134           135 
      1   0.154878D+02 -0.926346D+01  0.347063D+01 -0.543735D+00 -0.660831D+01
      2  -0.229146D+01  0.278070D+01  0.518576D+01  0.292198D+01 -0.414374D+01
      3   0.723962D+01 -0.985049D+00  0.672020D+01  0.405507D-01 -0.589576D+01
               136           137           138           139           140 
      1  -0.224226D+01 -0.212574D+00  0.280366D+01 -0.146767D+01 -0.158624D+01
      2   0.121618D+02 -0.186700D+01 -0.822049D+01 -0.248972D+01 -0.191329D+01
      3  -0.849035D+01  0.545858D+01  0.350409D+01  0.151733D+02  0.206098D+02
               141           142           143           144           145 
      1  -0.544069D+01  0.415850D+01 -0.757842D+00  0.405602D+01 -0.173447D+01
      2   0.936326D+01 -0.191311D+02  0.909575D+01 -0.106842D+02  0.534812D-02
      3   0.358277D+01  0.377879D+01  0.276518D+01 -0.120749D+02 -0.769555D+01
               146           147           148           149           150 
      1   0.307115D+00  0.308038D+01  0.399161D+00 -0.140655D+01 -0.404722D+01
      2   0.517750D+00  0.348771D+01 -0.489661D+00 -0.527348D+00 -0.226478D+01
      3  -0.623279D+00  0.991994D+00  0.472380D+01  0.979665D-01  0.208676D+00
               151           152           153           154           155 
      1   0.195034D+01 -0.827362D+00 -0.646680D+00  0.298761D+01  0.281693D+01
      2  -0.195557D+00 -0.129366D+01 -0.559851D+00 -0.983465D+01  0.522653D+00
      3   0.177930D+01  0.935680D+00 -0.330323D+00 -0.584165D+01 -0.173435D+01
               156           157           158           159           160 
      1   0.425929D+01  0.126286D+01  0.137813D+01 -0.368547D+00  0.340789D+01
      2  -0.284670D+01 -0.399259D+00 -0.712563D+00 -0.866409D+00 -0.660174D+01
      3  -0.343636D+01  0.930929D+00 -0.122148D+00 -0.508162D+00 -0.331462D+01
               161           162           163           164           165 
      1   0.245473D+01  0.376231D+01 -0.161668D+01 -0.485082D+01 -0.402519D+00
      2  -0.110276D+00 -0.256021D+01  0.993642D+01  0.515583D+01 -0.426084D+01
      3  -0.114392D+01 -0.323972D+01  0.610537D+01  0.183698D+01 -0.359695D+01
               166           167           168           169           170 
      1  -0.247786D+01 -0.412834D+01 -0.117674D+01  0.218268D+00  0.233906D+01
      2   0.452390D+01  0.510027D+01 -0.323116D+01 -0.476962D+01 -0.327875D+01
      3   0.454123D+01  0.218577D+01 -0.236772D+01 -0.283153D+01 -0.619843D+00
               171           172           173           174           175 
      1   0.167535D+00  0.423877D+01  0.324827D+01  0.197270D+01  0.225629D+01
      2   0.329597D+01 -0.178563D+02 -0.173364D+01 -0.389762D+01 -0.211071D+01
      3   0.255316D+01 -0.725345D+01 -0.221396D+01 -0.256883D+01  0.601432D+00
               176           177           178           179           180 
      1   0.521926D+00  0.598978D+00  0.221216D+01  0.219643D+01  0.260325D+01
      2  -0.179349D+01 -0.601710D+00 -0.694815D+01 -0.653101D+00 -0.404842D+01
      3  -0.100655D+01  0.871905D-01 -0.248485D+01 -0.806473D+00 -0.157513D+01
               181           182           183           184           185 
      1  -0.116334D+01 -0.182890D+01 -0.725023D+00 -0.318107D+01 -0.166959D+02
      2  -0.642174D+00  0.122882D+01  0.462947D+00  0.268893D+01 -0.221857D+00
      3  -0.110819D+01 -0.876091D+00 -0.686799D-01  0.301418D+01 -0.911543D+01
               186           187           188           189           190 
      1  -0.119465D+01 -0.575035D+00  0.502606D+00 -0.143158D+01  0.534837D+01
      2   0.190735D+01 -0.942133D+00  0.392444D+00  0.581052D+00  0.430010D+01
      3   0.225156D+01 -0.184977D+00 -0.251564D+00 -0.199123D+00  0.386645D+01
               191           192           193           194           195 
      1  -0.406948D+01 -0.496822D+01 -0.308443D+01  0.217718D+01  0.340227D+01
      2  -0.115451D+01  0.658566D-01 -0.227118D+01  0.222548D+00 -0.131328D+01
      3  -0.366259D+01 -0.357266D+01 -0.154869D+01  0.141885D+01  0.206759D+01
               196           197           198           199           200 
      1  -0.429298D+01  0.467114D+01  0.766781D+01 -0.169998D+01  0.815637D+00
      2  -0.488944D+01 -0.774962D-01 -0.941436D+00  0.331749D+01 -0.165241D+00
      3  -0.300807D+01  0.231176D+01  0.393718D+01  0.310570D+01 -0.207796D+01
               201           202           203           204           205 
      1  -0.110480D+01  0.458278D+00 -0.179033D+01  0.148230D+01 -0.142786D+01
      2   0.517450D+01  0.551354D+00  0.376304D+01 -0.635963D+01  0.321144D+01
      3   0.173139D+01 -0.125864D+01  0.234374D+01 -0.429191D+01  0.120515D+01
               206           207           208           209           210 
      1   0.453609D+01 -0.534056D+01  0.184789D+01 -0.851446D+00 -0.939904D+00
      2  -0.546725D+01  0.182318D+02 -0.990418D+01  0.173037D+01  0.964229D+01
      3  -0.563781D+01  0.662196D+01  0.846084D+01 -0.644628D+01 -0.313599D+01
               211           212           213           214           215 
      1  -0.211639D+00  0.834654D+00 -0.311475D+00 -0.178794D+01  0.171885D+01
      2   0.286688D+01 -0.235401D+01 -0.443344D+01  0.821227D+01 -0.300334D+01
      3  -0.483402D+01  0.229713D+01  0.216360D+01 -0.434856D+01  0.449754D+01
               216           217           218           219           220 
      1   0.980740D+00  0.586111D+00  0.363471D+00 -0.488422D+00  0.481265D+00
      2  -0.913307D+01 -0.794596D+00 -0.293761D-01  0.196065D+01  0.308427D+00
      3   0.437273D+01 -0.308888D+01 -0.374230D+01 -0.636759D+00 -0.484331D+01
               221           222           223           224           225 
      1   0.285356D+01 -0.365005D+01 -0.509476D+00  0.408183D+00 -0.357662D+00
      2   0.106839D+01  0.360615D+01  0.174813D+01  0.165540D+01  0.123105D+01
      3  -0.243032D+02 -0.183032D+01 -0.107667D+01 -0.167255D+01 -0.158188D+01
               226           227           228           229           230 
      1   0.228112D+01  0.187341D+01 -0.235330D+01  0.168888D+01  0.248705D+01
      2  -0.390273D+01 -0.333431D+01  0.472558D+01 -0.335507D+01 -0.416892D+01
      3  -0.171264D+01 -0.221826D+01  0.647309D+00  0.226353D+01 -0.856974D+01
               231           232           233           234 
      1  -0.382582D+01 -0.171465D+01 -0.353913D+01  0.274241D+01
      2   0.302052D+01  0.339773D+01  0.455830D+01 -0.729911D+01
      3   0.166905D+01  0.381964D+00  0.546574D+01 -0.894242D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.719931D+01 -0.108156D+02 -0.659009D+01 -0.358635D+01  0.240394D-02
      2   0.632957D+01  0.677686D+01  0.927215D+01  0.133760D+01  0.162796D+01
      3   0.869743D+00  0.403874D+01 -0.268206D+01  0.224875D+01 -0.163036D+01
      4  -0.805480D+01 -0.184212D+02  0.310063D+01 -0.301331D+01 -0.222856D+02
      5  -0.948638D+01  0.709029D+00 -0.176159D+02  0.757297D+01  0.485330D+01
      6  -0.185587D+01  0.796615D+01 -0.278928D+01  0.508290D+01  0.434588D+01
                 6             7             8             9            10 
      1   0.846770D+01 -0.820343D+01  0.852078D+01 -0.142817D+02 -0.681733D+01
      2  -0.298520D+01  0.122420D+02 -0.351021D+00  0.119297D+02  0.625414D+01
      3  -0.548250D+01 -0.403859D+01 -0.816976D+01  0.235196D+01  0.563192D+00
      4   0.832382D+01  0.845917D+01  0.178167D+02 -0.122024D+02 -0.451041D+00
      5   0.123005D+01 -0.221062D+02 -0.559733D+01 -0.898955D+01  0.237010D+01
      6  -0.251632D+01 -0.631393D+01 -0.673736D+01  0.333792D+00  0.841982D+01
                11            12            13            14            15 
      1   0.990463D+01 -0.143836D+01  0.133742D+02  0.229892D+02 -0.314174D+01
      2  -0.142323D+02 -0.500257D+00 -0.161588D+02 -0.473822D+02  0.991440D+00
      3   0.432768D+01  0.193862D+01  0.278454D+01  0.243930D+02  0.215030D+01
      4  -0.187559D+01  0.249964D+01  0.180619D+01 -0.150189D+02 -0.744145D+00
      5   0.145088D+01  0.136326D+01  0.117887D+01 -0.369325D+01  0.691977D+00
      6  -0.191207D+01  0.754449D+01 -0.361207D+01 -0.353219D+01  0.404628D+01
                16            17            18            19            20 
      1  -0.212893D+01 -0.452714D+01  0.160746D+02 -0.187194D+02  0.938602D+01
      2  -0.304528D+01  0.118995D+02  0.905832D+01 -0.601485D+01  0.124311D+02
      3   0.517421D+01 -0.737236D+01 -0.251329D+02  0.247343D+02 -0.218172D+02
      4   0.281652D+01 -0.145026D+01  0.440166D+01  0.564065D+02 -0.416067D+02
      5   0.434400D+01  0.103709D+01  0.320417D+01  0.243875D+02 -0.743165D+01
      6   0.673919D+01  0.168039D+01 -0.184691D+02 -0.110699D+02  0.129272D+01
                21            22            23            24            25 
      1   0.140023D+02  0.238459D+02 -0.178781D+02 -0.121406D+02 -0.118675D+01
      2  -0.102835D+02 -0.345737D+01 -0.909037D+01  0.173909D+02 -0.103693D+01
      3  -0.371878D+01 -0.203885D+02  0.269685D+02 -0.525026D+01  0.222368D+01
      4  -0.792819D+01 -0.498277D+02  0.627780D+02 -0.952462D+00 -0.392744D+01
      5  -0.113756D+02 -0.206950D+02  0.342299D+01  0.183729D+02  0.977605D+01
      6   0.114997D+02  0.738544D+01  0.340986D+01 -0.711489D+01  0.491855D+00
                26            27            28            29            30 
      1  -0.308156D+01 -0.350972D+01  0.750010D+01 -0.109770D+02 -0.247293D+02
      2   0.639578D+01 -0.876807D+01  0.458037D+01 -0.928964D+01  0.172805D+02
      3  -0.331422D+01  0.122778D+02 -0.120805D+02  0.202666D+02  0.744881D+01
      4  -0.439605D+01  0.839283D+01 -0.377172D+02  0.474292D+02  0.205704D+02
      5   0.149526D+01 -0.493151D+01 -0.448327D+02  0.174308D+02  0.203339D+02
      6   0.692359D+01 -0.116241D+01  0.218734D+02 -0.120365D+02 -0.107328D+02
                31            32            33            34            35 
      1  -0.164699D+02  0.202890D+02  0.187185D+02 -0.368558D+02  0.251467D+02
      2  -0.852561D+01  0.740812D+01 -0.243490D+02  0.247606D+02 -0.301278D+02
      3   0.249955D+02 -0.276971D+02  0.563047D+01  0.120952D+02  0.498104D+01
      4   0.548092D+02 -0.534385D+02  0.941479D+01  0.165659D+02  0.118609D+02
      5   0.102681D+02  0.105163D+02 -0.144961D+02  0.250547D+02 -0.185594D+02
      6  -0.505806D+01 -0.216791D+02  0.911701D+01 -0.145304D+02  0.140985D+02
                36            37            38            39            40 
      1   0.329745D+01  0.503321D+01 -0.609821D+01  0.232840D+01 -0.102613D+02
      2  -0.530951D+01  0.460561D+01 -0.444111D+00 -0.485626D+01 -0.491595D+00
      3   0.201206D+01 -0.963882D+01  0.654232D+01  0.252786D+01  0.107529D+02
      4  -0.175374D+02 -0.324177D+02  0.124476D+02  0.527444D+01  0.584361D+01
      5  -0.121271D+02 -0.458824D+01  0.428983D+00  0.221257D+00  0.354282D+01
      6  -0.127458D+01  0.485189D+01 -0.790934D+01 -0.433535D+01 -0.854519D+01
                41            42            43            44            45 
      1   0.253696D+02  0.752706D+01  0.149236D+02  0.418267D+01  0.441772D+01
      2  -0.617061D+01 -0.352321D+01 -0.930977D+01 -0.659281D+01 -0.513837D+00
      3  -0.191989D+02 -0.400385D+01 -0.561384D+01  0.241014D+01 -0.390388D+01
      4  -0.101027D+02 -0.209430D+01  0.126818D+02 -0.521005D+01 -0.680598D+01
      5  -0.618012D+01  0.197960D+01 -0.580137D+01  0.367382D+01 -0.175331D+01
      6  -0.275649D+01 -0.200410D+02 -0.193670D+01 -0.169640D+02 -0.126341D+01
                46            47            48            49            50 
      1  -0.143242D+02 -0.599870D+01 -0.139521D+02 -0.311753D+01  0.126764D+01
      2   0.918330D+00  0.366150D+01  0.116330D+02  0.632776D+01 -0.464551D+00
      3   0.134059D+02  0.233719D+01  0.231905D+01 -0.321022D+01 -0.803086D+00
      4   0.190130D+01  0.334497D+01 -0.915653D+01  0.527016D+00  0.210609D+02
      5  -0.144620D+02 -0.122320D+01  0.861504D+01 -0.668809D+00 -0.183550D+01
      6  -0.610478D+01  0.153554D+00  0.380797D+01  0.938881D+00 -0.764672D+01
                51            52            53            54            55 
      1  -0.683376D+01 -0.186048D+02 -0.437968D+01  0.992987D+01 -0.417810D+01
      2  -0.263464D+01  0.137387D+02  0.128139D+01 -0.666983D+01 -0.848896D+01
      3   0.946841D+01  0.486607D+01  0.309829D+01 -0.326004D+01  0.126671D+02
      4  -0.135845D+01 -0.187799D+02  0.332802D+00  0.189549D+01  0.180690D+02
      5  -0.466963D+01  0.103100D+02 -0.522923D+01  0.229388D+01  0.456651D+01
      6   0.200127D+01  0.406851D+01 -0.835730D+00  0.583834D+00 -0.607066D+01
                56            57            58            59            60 
      1   0.121052D+01  0.364388D+01 -0.259366D+01 -0.147531D+02  0.117888D+01
      2   0.136268D+02 -0.527233D+01  0.113047D+02  0.790831D+01  0.327332D+00
      3  -0.148373D+02  0.162845D+01 -0.871101D+01  0.684483D+01 -0.150621D+01
      4  -0.235360D+02 -0.553686D+01 -0.222204D+02  0.111461D+02  0.591012D+01
      5  -0.371102D+01 -0.112536D+01 -0.600304D+01  0.648373D+01  0.260616D+01
      6  -0.138319D+01 -0.817345D+01  0.671239D+00  0.386392D+01 -0.809689D+00
                61            62            63            64            65 
      1   0.343344D+01  0.392453D+01  0.293307D+01  0.697071D+01  0.104587D+02
      2  -0.278932D+01 -0.932508D+01  0.526825D+01  0.633002D+01 -0.679193D+01
      3  -0.644116D+00  0.540054D+01 -0.820131D+01 -0.133007D+02 -0.366675D+01
      4  -0.275992D+01  0.768489D+01 -0.336124D+01 -0.383868D+00 -0.554569D+01
      5   0.852224D+00 -0.317085D+00 -0.124711D+01 -0.514529D+01  0.796864D+01
      6  -0.600037D+01  0.279641D+01  0.114847D+02  0.130121D+02  0.158098D+02
                66            67            68            69            70 
      1  -0.402906D+01  0.150164D+02 -0.986464D+01 -0.216302D+01  0.104525D+00
      2   0.150661D+02 -0.373386D+01  0.361003D+01 -0.631875D+01  0.121163D+02
      3  -0.110371D+02 -0.112826D+02  0.625462D+01  0.848177D+01 -0.122208D+02
      4   0.771285D+01 -0.367796D+01 -0.386594D+01  0.383002D+01  0.386438D+00
      5  -0.180164D+02  0.202442D+01  0.937260D+01 -0.960814D+01 -0.158190D+02
      6  -0.219258D+01  0.140280D+02 -0.122600D+02 -0.719766D+00  0.209136D+01
                71            72            73            74            75 
      1  -0.522318D+01 -0.609568D+01  0.243875D+02  0.249525D+01  0.118167D+02
      2   0.480016D+00 -0.231890D+01 -0.186954D+02 -0.203270D+01 -0.123111D+02
      3   0.474316D+01  0.841458D+01 -0.569203D+01 -0.462545D+00  0.494446D+00
      4   0.602251D+01  0.292010D+01  0.871391D+01  0.888522D+01  0.565388D+01
      5  -0.309053D+01 -0.492120D+01  0.212304D+02  0.322808D+01  0.188338D+02
      6  -0.310120D+01  0.148706D+01  0.272114D+01  0.146324D+01  0.352064D+01
                76            77            78            79            80 
      1  -0.447977D+01  0.128454D+01 -0.264892D+01  0.141464D+02 -0.493204D+00
      2   0.423632D+01 -0.692816D+00  0.338761D+01 -0.155226D+02 -0.217935D-01
      3   0.243443D+00 -0.591723D+00 -0.738695D+00  0.137617D+01  0.514998D+00
      4   0.606127D+01  0.795302D+00  0.276262D+01  0.685150D+01  0.344331D+01
      5  -0.310102D+01  0.398916D+01 -0.236544D+01  0.231999D+02  0.496262D+01
      6   0.217214D+01 -0.898521D-01  0.393546D+01  0.401746D+01  0.486196D+01
                81            82            83            84            85 
      1   0.781625D+01 -0.510978D+00 -0.253328D+01 -0.301169D+00 -0.411879D+01
      2  -0.168849D+02  0.700089D+01  0.868649D+01  0.879562D+00  0.104817D+02
      3   0.906862D+01 -0.648992D+01 -0.615321D+01 -0.578393D+00 -0.636293D+01
      4   0.827926D+01  0.700025D+01  0.141045D+02  0.720485D+00  0.114371D+02
      5   0.267533D+02  0.153052D+01  0.240398D+01  0.208724D+01  0.207339D+01
      6   0.536581D+01  0.882372D+00  0.252705D+01  0.625870D+00  0.331034D+01
                86            87            88            89            90 
      1  -0.412072D+02 -0.332572D+01  0.293127D+00  0.272590D+01 -0.588774D+01
      2   0.764601D+02  0.322241D+01 -0.846175D+00 -0.802948D+01  0.488369D+01
      3  -0.352529D+02  0.103311D+00  0.553048D+00  0.530359D+01  0.100405D+01
      4   0.231837D+02  0.203628D+01 -0.162912D+01 -0.234670D+01  0.156818D+01
      5   0.309795D+01  0.178671D+01  0.965467D+00  0.200473D+01 -0.251402D+00
      6   0.146421D+02  0.904155D+01  0.413756D+00  0.869584D+01  0.162585D+01
                91            92            93            94            95 
      1  -0.963095D+00  0.822042D+00  0.354446D+01 -0.172497D+01 -0.614146D+01
      2  -0.370261D+01 -0.434235D-01 -0.673136D-02  0.764862D+00  0.569203D+01
      3   0.466570D+01 -0.778618D+00 -0.353772D+01  0.960108D+00  0.449431D+00
      4  -0.208362D+01  0.311779D+01  0.310289D+01  0.595043D+00 -0.674393D-01
      5  -0.206532D+01  0.818458D+00  0.645545D+01 -0.276157D+00 -0.660744D-02
      6   0.241179D+01 -0.233284D+01 -0.482007D+01 -0.861396D+00  0.390019D+01
                96            97            98            99           100 
      1  -0.175594D+01  0.444204D+01 -0.809855D+01 -0.263804D+02  0.618514D+02
      2   0.355637D+01  0.108797D+01  0.261599D+01 -0.135584D+02 -0.286500D+02
      3  -0.180043D+01 -0.553001D+01  0.548257D+01  0.399388D+02 -0.332015D+02
      4  -0.102303D+00  0.348533D+01  0.897719D-01 -0.221636D+00 -0.320075D+02
      5  -0.472244D+00  0.511807D+01  0.643825D+00  0.216884D+01  0.180441D+02
      6   0.525162D+01 -0.297541D+01  0.122794D+02  0.301521D+02 -0.107005D+02
               101           102           103           104           105 
      1  -0.105971D+02  0.152592D+02 -0.889336D+00  0.519255D+01  0.110544D+01
      2   0.157726D+01 -0.770821D+01 -0.396081D+01  0.256148D+01 -0.408242D+00
      3   0.901986D+01 -0.755095D+01  0.485014D+01 -0.775402D+01 -0.697203D+00
      4   0.171712D+02 -0.100463D+02  0.132828D+02 -0.104993D+02 -0.328071D+00
      5  -0.596668D+01  0.111896D+02  0.336634D+01 -0.123929D+01 -0.280010D+00
      6   0.427115D+01 -0.598995D+01 -0.630399D+00  0.171654D+01  0.156428D+01
               106           107           108           109           110 
      1   0.311158D+02 -0.753745D+01  0.822429D+01  0.377583D+01 -0.100008D+02
      2  -0.172658D+02  0.383020D+01 -0.658832D+01  0.215075D+01  0.689957D+01
      3  -0.138500D+02  0.370725D+01 -0.163596D+01 -0.592658D+01  0.310124D+01
      4  -0.133341D+02  0.260714D+01 -0.343132D+01 -0.541514D+01  0.449994D+01
      5   0.938050D+01  0.189180D-01  0.947686D+01  0.182867D+01 -0.266516D+01
      6  -0.396836D+01  0.130004D+01 -0.344256D+01  0.343155D-01  0.612769D+01
               111           112           113           114           115 
      1  -0.252207D+01 -0.295357D+01 -0.256551D+02 -0.104826D+02  0.114972D+01
      2   0.247315D+01 -0.185128D+01  0.423902D+02  0.128500D+02 -0.275189D+01
      3   0.489192D-01  0.480485D+01 -0.167351D+02 -0.236737D+01  0.160216D+01
      4  -0.250602D+01  0.124368D+02 -0.310004D+02 -0.115841D+02 -0.196140D+00
      5  -0.115155D+01  0.371583D+01 -0.139279D+02 -0.876781D+01  0.284346D-01
      6   0.346012D+01 -0.371867D+01  0.221225D+02  0.133029D+02  0.652653D+00
               116           117           118           119           120 
      1  -0.163051D+02 -0.906717D+01 -0.124327D-01 -0.142902D+01 -0.158188D+01
      2   0.209538D+02  0.756119D+01  0.234681D+00  0.549762D+00  0.224723D+00
      3  -0.464870D+01  0.150598D+01 -0.222249D+00  0.879260D+00  0.135715D+01
      4  -0.116547D+02 -0.427954D+01  0.216760D+01  0.769238D+01  0.354257D+01
      5  -0.571795D+01 -0.380532D+01  0.715659D+00  0.453222D+01  0.572343D+01
      6   0.115993D+02  0.923664D+01  0.519134D+01  0.200828D+01  0.267515D+01
               121           122           123           124           125 
      1  -0.282604D+01 -0.183564D+02 -0.129790D+02 -0.399666D+00 -0.103606D+02
      2   0.152470D+01  0.153026D+02  0.536598D+01  0.306248D+00  0.240916D+01
      3   0.130134D+01  0.305384D+01  0.761304D+01  0.934176D-01  0.795143D+01
      4   0.640776D+01  0.516871D+01  0.284676D+01  0.837664D+00  0.233224D+01
      5   0.350614D+01  0.160287D+01  0.214387D+01  0.324626D+01  0.152730D+01
      6   0.222721D+01  0.225888D+02  0.193390D+02  0.257566D+01  0.167391D+02
               126           127           128           129           130 
      1  -0.151075D+02  0.113039D+02  0.406564D+01  0.659611D+01  0.625615D+01
      2  -0.960818D+00  0.119767D+02 -0.701004D+01 -0.134152D+02 -0.128298D+02
      3   0.160684D+02 -0.232807D+02  0.294439D+01  0.681914D+01  0.657367D+01
      4   0.336179D+01  0.779792D+01  0.469765D+00  0.399476D+01 -0.118145D+01
      5   0.157749D+01  0.610959D+01 -0.543077D+01 -0.217770D+02 -0.694439D+01
      6   0.164064D+02 -0.612343D+00  0.395478D+01  0.235003D+01  0.579879D+01
               131           132           133           134           135 
      1   0.964173D+01  0.294606D+01  0.621841D+01  0.568565D+01 -0.126731D+02
      2  -0.250555D+02  0.139776D+02 -0.122535D+02  0.568507D+01  0.133407D+02
      3   0.154137D+02 -0.169237D+02  0.603512D+01 -0.113707D+02 -0.667536D+00
      4  -0.182902D+02  0.186315D+01  0.547026D+01 -0.306602D+00  0.190621D+01
      5   0.433931D+01  0.103199D+02 -0.215233D+02  0.635357D+01  0.108639D+02
      6   0.219845D+02  0.105664D+01  0.117926D+01  0.490695D+01 -0.131069D+02
               136           137           138           139           140 
      1   0.239848D+00  0.167892D+02  0.255135D+02  0.235485D+02  0.112252D+01
      2   0.248673D+01 -0.127731D+02 -0.121914D+02 -0.210348D+02 -0.153695D+02
      3  -0.272658D+01 -0.401608D+01 -0.133221D+02 -0.251361D+01  0.142470D+02
      4   0.163307D+02 -0.583439D+01  0.249374D+01 -0.120000D+02 -0.370128D+02
      5   0.265682D+02 -0.995275D+00 -0.145647D+02 -0.260093D+01 -0.432334D+01
      6   0.433617D+01 -0.973195D+00 -0.142773D+01 -0.198262D+01 -0.624880D+01
               141           142           143           144           145 
      1  -0.915791D+00  0.311341D+02 -0.219931D+01 -0.193181D+02  0.156448D+02
      2  -0.230406D+01 -0.150593D+02 -0.217498D+01  0.170919D+02  0.405431D+01
      3   0.321985D+01 -0.160748D+02  0.437429D+01  0.222613D+01 -0.196991D+02
      4  -0.363450D+01  0.306763D+01 -0.357719D+01  0.122764D+02 -0.314599D+02
      5   0.154010D+02 -0.211957D+02  0.142823D+02 -0.155138D+02 -0.410079D+01
      6   0.210248D+01 -0.184219D+01  0.250741D+01 -0.108112D+01  0.218233D+01
               146           147           148           149           150 
      1  -0.508973D+01 -0.192841D+01 -0.129683D+01 -0.427495D+01 -0.646656D+00
      2  -0.114696D+02  0.776892D-01 -0.123825D+02  0.231101D+02  0.297466D+01
      3   0.165593D+02  0.185072D+01  0.136794D+02 -0.188352D+02 -0.232801D+01
      4   0.285730D+02  0.400414D+01  0.244194D+02 -0.277747D+02 -0.351288D+01
      5   0.244327D+01  0.592336D+01  0.186509D+01 -0.269439D+01 -0.250110D+01
      6  -0.181009D+01 -0.338772D+01 -0.145964D+01  0.253432D+01  0.637001D+01
               151           152           153           154           155 
      1  -0.159094D+01 -0.543153D+00 -0.112645D+01  0.349496D+01  0.212029D+01
      2   0.394872D-01  0.338048D+01  0.214033D+01 -0.126146D+02 -0.121328D+00
      3   0.155145D+01 -0.283733D+01 -0.101388D+01  0.911960D+01 -0.199896D+01
      4   0.408355D+01 -0.403458D+01 -0.560220D+01 -0.471347D+01  0.460051D+01
      5   0.590064D+01 -0.440174D+01 -0.234883D+01  0.199197D+02 -0.489019D+01
      6  -0.415692D+01  0.791065D+01  0.105579D+01 -0.901018D+01  0.477239D+01
               156           157           158           159           160 
      1  -0.391556D+01 -0.109469D+01 -0.806811D+00  0.139901D+01 -0.309735D+01
      2  -0.124435D+02 -0.771623D+00 -0.101395D+01 -0.163878D+01 -0.110889D+02
      3   0.163591D+02  0.186631D+01  0.182076D+01  0.239772D+00  0.141862D+02
      4  -0.541906D+01  0.509163D+01 -0.150037D+01  0.257653D+01 -0.428519D+01
      5   0.191605D+02 -0.117821D+01  0.344088D+01 -0.117726D+01  0.171915D+02
      6  -0.936457D+01  0.296274D+01 -0.235643D+01  0.726146D+01 -0.692865D+01
               161           162           163           164           165 
      1   0.361207D+01 -0.115795D+02 -0.361361D+01 -0.802434D+01  0.887685D+01
      2   0.883934D+00 -0.167814D+02 -0.149422D+01  0.468693D+01  0.121525D+01
      3  -0.449601D+01  0.283609D+02  0.510782D+01  0.333742D+01 -0.100921D+02
      4   0.245570D+01 -0.407020D+01  0.875964D+01  0.849128D+01 -0.707690D+01
      5  -0.312186D+01  0.207540D+02 -0.118078D+02 -0.798347D+01  0.130835D+02
      6   0.781297D+01 -0.128992D+02 -0.104483D+02 -0.139444D+02  0.128653D+02
               166           167           168           169           170 
      1  -0.515310D+01 -0.107825D+02  0.940036D+01  0.411594D+01  0.777138D+01
      2   0.303538D+01  0.101648D+02 -0.200014D+01  0.689727D+00 -0.398079D+00
      3   0.211772D+01  0.617704D+00 -0.740022D+01 -0.480566D+01 -0.737330D+01
      4   0.754352D+01  0.625741D+01 -0.480725D+01 -0.451608D+01 -0.430051D+01
      5  -0.560208D+01 -0.694441D+01  0.533676D+01  0.914162D+01  0.494969D+01
      6  -0.894954D+01 -0.148454D+02  0.150254D+02  0.654333D+01  0.124432D+02
               171           172           173           174           175 
      1  -0.112030D+02 -0.488913D+01  0.750122D+00 -0.973069D+01 -0.849639D+00
      2  -0.339259D+01 -0.463062D+01 -0.568348D+00 -0.379277D+01  0.110349D+01
      3   0.145955D+02  0.951975D+01 -0.181774D+00  0.135235D+02 -0.253856D+00
      4   0.478261D+01 -0.908197D+01  0.530048D+00 -0.224915D+01  0.129950D+01
      5  -0.799236D+01  0.137852D+02  0.180445D+01  0.827032D+01  0.198926D+01
      6  -0.150350D+02 -0.618087D-01  0.398054D+01 -0.489946D+01  0.221187D+01
               176           177           178           179           180 
      1  -0.300993D+01 -0.587615D+00 -0.585598D+01 -0.435670D+00 -0.678559D+01
      2   0.331933D+01 -0.272522D+01 -0.280814D+01 -0.107924D+01 -0.629149D+01
      3  -0.309396D+00  0.331283D+01  0.866411D+01  0.151491D+01  0.130771D+02
      4   0.888104D+00  0.821552D-01 -0.282149D+01  0.823191D+00 -0.301819D+01
      5   0.171875D+01 -0.164566D+01  0.955200D+01 -0.742356D-01  0.547544D+01
      6  -0.198927D+01  0.228922D+01 -0.220927D+01  0.249640D+01 -0.187895D+01
               181           182           183           184           185 
      1  -0.477657D+00  0.150377D+01 -0.331225D+00 -0.612560D+00 -0.210014D+02
      2   0.170071D+01  0.177567D+01  0.154993D+01  0.541066D+01  0.386017D+02
      3  -0.122305D+01 -0.327944D+01 -0.121871D+01 -0.479810D+01 -0.176002D+02
      4   0.449587D+01  0.817656D+01 -0.236266D+01  0.106274D+02  0.216134D+02
      5  -0.254466D+01 -0.326411D+01  0.507924D+01 -0.435217D+01 -0.593290D+01
      6  -0.327133D+01 -0.324888D+01  0.121469D+01 -0.616125D+01 -0.305051D+02
               186           187           188           189           190 
      1   0.793882D+01  0.385245D+00  0.218302D+01 -0.253298D+01  0.896569D+01
      2  -0.534569D+01  0.190563D+01  0.155091D+01  0.144465D+01 -0.176737D+02
      3  -0.259313D+01 -0.229087D+01 -0.373392D+01  0.108833D+01  0.870804D+01
      4  -0.529169D+01 -0.710633D-01  0.563281D+00  0.238164D+01  0.249309D+01
      5   0.409418D+01  0.335506D+01  0.153681D+01 -0.179176D+01 -0.237719D+02
      6   0.138618D+02  0.127496D+01  0.685551D+01 -0.316161D+01 -0.255504D-02
               191           192           193           194           195 
      1  -0.223671D+01 -0.152395D+01 -0.329821D+01 -0.686885D+00 -0.169861D+01
      2   0.396651D+01  0.168241D+02  0.681237D+01 -0.866799D+00 -0.866316D+01
      3  -0.172979D+01 -0.153002D+02 -0.351416D+01  0.155368D+01  0.103618D+02
      4   0.389409D+01 -0.316885D+01  0.317196D+01 -0.756644D+00 -0.300484D+01
      5   0.305109D+01  0.249971D+02  0.848496D+01 -0.591020D+01 -0.966740D+01
      6  -0.546376D+01  0.166391D+01 -0.463651D+01  0.205502D+01  0.520649D+01
               196           197           198           199           200 
      1  -0.118131D+01 -0.572044D+00 -0.669612D+01  0.940413D+01 -0.435891D+01
      2   0.141750D+02 -0.373926D+01 -0.229835D+02 -0.841595D+01  0.322364D+01
      3  -0.129937D+02  0.431131D+01  0.296796D+02 -0.988186D+00  0.113528D+01
      4  -0.240172D+01 -0.276560D+01  0.165580D+01 -0.335633D+01  0.292736D+01
      5   0.207212D+02 -0.333437D+01 -0.270738D+02  0.937926D+01 -0.317786D+01
      6   0.640250D+00  0.539078D+01 -0.781544D+00 -0.442861D+00  0.557046D+00
               201           202           203           204           205 
      1   0.638717D+01 -0.964848D+01  0.895885D+00 -0.194227D+01  0.126118D+02
      2  -0.677471D+01  0.655757D+01 -0.205414D+00  0.371663D+01 -0.110151D+02
      3   0.387541D+00  0.309091D+01 -0.690472D+00 -0.177435D+01 -0.159673D+01
      4  -0.176203D+01  0.453883D+01 -0.217431D+01  0.638871D+01  0.116414D+00
      5   0.147002D+02 -0.492812D+01  0.629406D+01 -0.100891D+02  0.209833D+02
      6   0.681907D+00  0.867838D+00 -0.140669D+01  0.258751D+01  0.221616D+01
               206           207           208           209           210 
      1  -0.366501D+00  0.674275D+01  0.541550D+02 -0.915891D+01 -0.185145D+02
      2   0.337689D+01 -0.174654D+02 -0.295340D+02  0.560053D+01  0.105346D+02
      3  -0.301039D+01  0.107226D+02 -0.246210D+02  0.355837D+01  0.797995D+01
      4   0.789615D+01 -0.548303D+01 -0.307302D+01  0.863065D+01  0.117990D+01
      5  -0.751318D+01  0.341525D+02 -0.199579D+02  0.307084D+01  0.156368D+02
      6   0.304948D+01  0.328991D+01 -0.201163D+01 -0.582919D-01  0.183073D+01
               211           212           213           214           215 
      1  -0.188779D+02  0.695057D+01  0.452783D+01 -0.323626D+02  0.395747D+01
      2   0.111333D+02 -0.169061D+01 -0.258826D+01  0.188241D+02 -0.255027D+01
      3   0.774464D+01 -0.525995D+01 -0.193957D+01  0.135385D+02 -0.140720D+01
      4   0.106838D+02 -0.236798D+01 -0.428289D+01 -0.158612D+00 -0.659590D+01
      5   0.584756D+01 -0.410588D+01 -0.724044D+01  0.215713D+02 -0.507509D+01
      6  -0.766289D+00  0.145501D+01  0.138404D+01  0.179610D+01  0.128158D+01
               216           217           218           219           220 
      1   0.147736D+02  0.661151D+01  0.580521D+01 -0.140812D+01  0.948825D+01
      2  -0.122097D+02  0.127348D+00 -0.479153D+00  0.112546D+01  0.440167D+01
      3  -0.256391D+01 -0.673886D+01 -0.532606D+01  0.282653D+00 -0.138899D+02
      4  -0.308651D+01  0.866096D+01  0.124172D+02  0.111229D+01  0.264593D+02
      5  -0.171078D+02 -0.801276D+00  0.178537D+01  0.328977D+01  0.404088D+01
      6  -0.146672D+01  0.796277D+00  0.993567D+00  0.433066D+00  0.331854D+01
               221           222           223           224           225 
      1  -0.509066D+01  0.283263D+00 -0.284218D+01 -0.138107D+00  0.108723D+01
      2   0.271418D+02  0.878473D+00  0.141655D+01  0.850701D+00  0.314315D+00
      3  -0.220511D+02 -0.116174D+01  0.142563D+01 -0.712594D+00 -0.140155D+01
      4   0.493374D+02  0.433968D+01  0.143630D+01  0.310752D+01  0.457452D+01
      5   0.457954D+01  0.635851D+01  0.640160D+01  0.441214D+01  0.283928D+01
      6   0.795778D+01  0.679572D+01  0.270871D+01  0.633077D+01  0.147593D+01
               226           227           228           229           230 
      1   0.166988D+02  0.115838D+02 -0.548428D+01  0.753476D+01  0.280451D+01
      2  -0.600135D+01 -0.299541D+01  0.140594D+01  0.342917D+00  0.610223D+01
      3  -0.106974D+02 -0.858838D+01  0.407834D+01 -0.787768D+01 -0.890674D+01
      4   0.196016D+02  0.219650D+02 -0.667314D+01  0.156277D+02  0.261095D+02
      5  -0.688022D+01 -0.330984D+01  0.766348D+01 -0.312671D+01 -0.691765D+01
      6  -0.505025D+01 -0.480542D+01  0.393937D+01 -0.460346D+01 -0.618344D+01
               231           232           233           234 
      1  -0.294855D+01 -0.975841D+01 -0.416694D+01  0.561394D+01
      2  -0.171921D+01  0.349658D+01 -0.192191D+01 -0.367031D+01
      3   0.466776D+01  0.626183D+01  0.608885D+01 -0.194363D+01
      4  -0.868595D+01 -0.113777D+02 -0.203979D+02  0.107032D+02
      5   0.265873D+01  0.101009D+02  0.731656D+01 -0.971412D+01
      6   0.666225D+01  0.563563D+01  0.822662D+01 -0.639779D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x         -0.168839D+00     -0.429147D+00     -0.143148D+01
   y          0.226577D+00      0.575901D+00      0.192100D+01
   z          0.473898D-01      0.120453D+00      0.401787D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.122601D+03      0.181675D+02      0.202141D+02
   yx        -0.680292D+01     -0.100809D+01     -0.112165D+01
   yy         0.114486D+03      0.169651D+02      0.188763D+02
   zx         0.723190D+00      0.107166D+00      0.119238D+00
   zy         0.113236D+01      0.167799D+00      0.186701D+00
   zz         0.998872D+02      0.148018D+02      0.164692D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120100D+03      0.177969D+02      0.198017D+02
   aniso      0.249659D+02      0.369956D+01      0.411632D+01
   xx         0.130749D+03      0.193750D+02      0.215576D+02
   yx        -0.781737D+01     -0.115841D+01     -0.128891D+01
   yy         0.122549D+03      0.181599D+02      0.202056D+02
   zx        -0.920286D-02     -0.136372D-02     -0.151735D-02
   zy         0.107689D+01      0.159578D+00      0.177555D+00
   zz         0.107001D+03      0.158559D+02      0.176421D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.33100666          1.44816817         -0.61672476
     6          2.77415654          0.63443705          2.14191318
     6          1.13438583          0.99788014         -2.40675749
     6          1.42459406          0.70720937         -4.88421922
     6         -1.38923463          0.90353706         -1.12383393
     6         -1.41208659         -1.34937142          0.82114988
     6         -0.06958325          0.54123161          2.65117599
     6         -1.37968134          2.71407979          1.18912524
     1          5.03469097          0.53452756         -1.33097481
     1          3.66353713          1.97073413          3.43941300
     1          3.60920599         -1.20909455          2.54050336
     1          3.27635778          0.71341487         -5.75842682
     1         -0.18634061          0.46131706         -6.12263668
     1         -2.94951664          1.00303233         -2.46655509
     6         -0.07228597         -3.78657803          0.09461033
     6         -4.09007279         -1.98614496          1.69035016
     1         -0.47404998          0.33014532          4.66334082
     1         -3.27255609          3.11748811          1.87343031
     1         -0.35499570          4.48996516          0.99710201
     1          1.82453921         -3.48426918         -0.63741466
     1         -1.13875948         -4.77312340         -1.37294088
     1          0.06148988         -5.04786272          1.72557715
     1         -5.17006994         -0.32631715          2.25201642
     1         -4.02811122         -3.26930168          3.30780736
     1         -5.13111708         -2.93281434          0.17910265
     1          3.72850942          3.47546463         -0.63009167

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.286513D+00      0.728243D+00      0.242916D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.110728D+03      0.164082D+02      0.182566D+02
   yx         0.550057D+01      0.815101D+00      0.906922D+00
   yy         0.102846D+03      0.152401D+02      0.169569D+02
   zx        -0.651804D+01     -0.965875D+00     -0.107468D+01
   zy        -0.532585D+00     -0.789209D-01     -0.878113D-01
   zz         0.123401D+03      0.182861D+02      0.203460D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120100D+03      0.177969D+02      0.198017D+02
   aniso      0.249659D+02      0.369956D+01      0.411632D+01
   xx         0.117302D+03      0.173823D+02      0.193405D+02
   yx         0.571105D+01      0.846291D+00      0.941625D+00
   yy         0.110456D+03      0.163679D+02      0.182118D+02
   zx        -0.683053D+01     -0.101218D+01     -0.112620D+01
   zy        -0.831901D+00     -0.123275D+00     -0.137162D+00
   zz         0.132541D+03      0.196405D+02      0.218530D+02

 ----------------------------------------------------------------------
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 GOD DOES NOT PLAY WITH DICE.
               -- A. EINSTEIN
 Job cpu time:       0 days  9 hours 44 minutes 57.6 seconds.
 Elapsed time:       0 days  0 hours 48 minutes 52.6 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 22:27:23 2021.
